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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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/FAM-31mer-d58371ec/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FAM-31mer-d58371ec/inputs/seq.fa: 1
curr_seq: _ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACUAAUAAUAUCAAUGGAUUGAUAUUAUUAA
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 31 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: 160
n_atoms_counter: 160
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 31.000000 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: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -115.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886868 (E_RNA)
where:
Base-Base interactions energy: -0.781
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.000
local terms energy: -115.106165
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -26.036
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -152.634421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.634421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.634421 (E_RNA)
where:
Base-Base interactions energy: -51.710
where: short stacking energy: -45.435
Base-Backbone interact. energy: -3.113
local terms energy: -97.811997
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -180.919086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.919086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.919086 (E_RNA)
where:
Base-Base interactions energy: -85.352
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.082
local terms energy: -95.484668
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -170.825643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.825643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.825643 (E_RNA)
where:
Base-Base interactions energy: -90.882
where: short stacking energy: -47.491
Base-Backbone interact. energy: 0.230
local terms energy: -80.173762
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -149.005708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.005708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.005708 (E_RNA)
where:
Base-Base interactions energy: -68.460
where: short stacking energy: -40.530
Base-Backbone interact. energy: -1.034
local terms energy: -79.511754
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -127.474394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.474394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.474394 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.046
local terms energy: -70.918344
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -132.612411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.612411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.612411 (E_RNA)
where:
Base-Base interactions energy: -68.466
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.637
local terms energy: -63.509301
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -125.280574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.280574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.280574 (E_RNA)
where:
Base-Base interactions energy: -57.759
where: short stacking energy: -46.846
Base-Backbone interact. energy: -0.254
local terms energy: -67.267000
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -119.123336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.123336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.123336 (E_RNA)
where:
Base-Base interactions energy: -13.620
where: short stacking energy: -13.620
Base-Backbone interact. energy: -0.000
local terms energy: -105.503515
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -116.588561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.588561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.588561 (E_RNA)
where:
Base-Base interactions energy: -2.097
where: short stacking energy: -2.097
Base-Backbone interact. energy: -0.000
local terms energy: -114.491959
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -25.962
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -119.658368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.658368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.658368 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -29.987
Base-Backbone interact. energy: -0.240
local terms energy: -76.947439
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -209.748048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.748048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748048 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.337
local terms energy: -92.506277
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -172.128192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.128192 (E_RNA)
where:
Base-Base interactions energy: -96.068
where: short stacking energy: -45.804
Base-Backbone interact. energy: 2.214
local terms energy: -78.274061
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -4.452
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -172.170915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.170915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.170915 (E_RNA)
where:
Base-Base interactions energy: -82.425
where: short stacking energy: -49.994
Base-Backbone interact. energy: -1.594
local terms energy: -88.151205
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -177.661106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.661106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.661106 (E_RNA)
where:
Base-Base interactions energy: -109.733
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.530
local terms energy: -67.398071
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -1.335
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -159.193995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.193995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.193995 (E_RNA)
where:
Base-Base interactions energy: -94.388
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.254
local terms energy: -64.551869
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.207
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -132.145881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.145881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.145881 (E_RNA)
where:
Base-Base interactions energy: -53.191
where: short stacking energy: -45.154
Base-Backbone interact. energy: -0.732
local terms energy: -78.222521
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -7.168
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -109.792294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.792294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.792294 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -32.377
Base-Backbone interact. energy: 3.159
local terms energy: -64.746279
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.037
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -120.073743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.073743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.073743 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.691
local terms energy: -74.235168
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -113.355160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.355160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.355160 (E_RNA)
where:
Base-Base interactions energy: -51.589
where: short stacking energy: -45.328
Base-Backbone interact. energy: -0.157
local terms energy: -61.609674
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -120.210844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.210844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.210844 (E_RNA)
where:
Base-Base interactions energy: -57.674
where: short stacking energy: -36.035
Base-Backbone interact. energy: -1.176
local terms energy: -61.360905
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -10.990
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -222.223971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.223971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.223971 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.776
local terms energy: -81.875473
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -13.839
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -207.662288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.662288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.662288 (E_RNA)
where:
Base-Base interactions energy: -122.148
where: short stacking energy: -51.802
Base-Backbone interact. energy: 0.037
local terms energy: -85.550887
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -202.251359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251359 (E_RNA)
where:
Base-Base interactions energy: -111.787
where: short stacking energy: -64.046
Base-Backbone interact. energy: -1.552
local terms energy: -88.911875
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -231.979462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.979462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.979462 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.468
local terms energy: -89.985727
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -18.818
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -175.726477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.726477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.726477 (E_RNA)
where:
Base-Base interactions energy: -96.491
where: short stacking energy: -45.194
Base-Backbone interact. energy: 0.495
local terms energy: -79.730529
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -124.344782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.344782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.344782 (E_RNA)
where:
Base-Base interactions energy: -51.978
where: short stacking energy: -31.789
Base-Backbone interact. energy: 2.015
local terms energy: -74.381377
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: 6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -126.958972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.958972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.958972 (E_RNA)
where:
Base-Base interactions energy: -53.957
where: short stacking energy: -40.127
Base-Backbone interact. energy: -1.877
local terms energy: -71.125628
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -7.595
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -125.085502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.085502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.085502 (E_RNA)
where:
Base-Base interactions energy: -58.384
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.049
local terms energy: -66.750102
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -104.193402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.193402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.193402 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -17.583
Base-Backbone interact. energy: -0.095
local terms energy: -71.982938
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -8.092
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -102.245369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.245369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.245369 (E_RNA)
where:
Base-Base interactions energy: -47.580
where: short stacking energy: -31.102
Base-Backbone interact. energy: -1.699
local terms energy: -52.966590
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -188.851411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851411 (E_RNA)
where:
Base-Base interactions energy: -101.691
where: short stacking energy: -72.361
Base-Backbone interact. energy: -0.195
local terms energy: -86.965054
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -206.949104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.949104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.949104 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -49.984
Base-Backbone interact. energy: -0.478
local terms energy: -85.047166
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -224.586018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.586018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.586018 (E_RNA)
where:
Base-Base interactions energy: -136.931
where: short stacking energy: -62.912
Base-Backbone interact. energy: -1.051
local terms energy: -86.604719
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -16.686
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: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -250.120623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.120623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.120623 (E_RNA)
where:
Base-Base interactions energy: -155.463
where: short stacking energy: -72.303
Base-Backbone interact. energy: -0.263
local terms energy: -94.394696
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -174.001387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.001387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.001387 (E_RNA)
where:
Base-Base interactions energy: -103.577
where: short stacking energy: -42.126
Base-Backbone interact. energy: -0.547
local terms energy: -69.877274
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -1.793
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -117.886834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.886834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.886834 (E_RNA)
where:
Base-Base interactions energy: -49.108
where: short stacking energy: -33.630
Base-Backbone interact. energy: 1.216
local terms energy: -69.994851
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: 0.175
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: 5
Temperature: 1.200000
Total energy: -106.239515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.239515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.239515 (E_RNA)
where:
Base-Base interactions energy: -34.723
where: short stacking energy: -29.627
Base-Backbone interact. energy: -1.347
local terms energy: -70.169238
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -109.512051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.512051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.512051 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -33.195
Base-Backbone interact. energy: 0.002
local terms energy: -66.923044
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.626
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -94.173982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173982 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.977
local terms energy: -65.350475
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: 4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -91.352613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352613 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -25.231
Base-Backbone interact. energy: 4.679
local terms energy: -68.397116
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -15.310
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -245.136521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.136521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.136521 (E_RNA)
where:
Base-Base interactions energy: -160.963
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.206
local terms energy: -83.967719
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -211.263229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.263229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.263229 (E_RNA)
where:
Base-Base interactions energy: -122.291
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.003
local terms energy: -88.969332
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -255.012402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.012402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.012402 (E_RNA)
where:
Base-Base interactions energy: -168.716
where: short stacking energy: -72.446
Base-Backbone interact. energy: 0.560
local terms energy: -86.856815
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -222.888293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.888293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.888293 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -63.315
Base-Backbone interact. energy: -0.639
local terms energy: -86.546336
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -132.813817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.813817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.813817 (E_RNA)
where:
Base-Base interactions energy: -58.493
where: short stacking energy: -46.666
Base-Backbone interact. energy: -0.886
local terms energy: -73.435097
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -136.529349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.529349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.529349 (E_RNA)
where:
Base-Base interactions energy: -63.882
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.243
local terms energy: -72.404766
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -10.055
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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -109.124652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.124652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.124652 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.248
local terms energy: -70.995554
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -12.181
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -114.593985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.593985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.593985 (E_RNA)
where:
Base-Base interactions energy: -54.741
where: short stacking energy: -38.687
Base-Backbone interact. energy: 2.231
local terms energy: -62.084073
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -9.913
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -103.599968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.599968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.599968 (E_RNA)
where:
Base-Base interactions energy: -25.792
where: short stacking energy: -20.203
Base-Backbone interact. energy: -0.144
local terms energy: -77.664121
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -5.549
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -118.944891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.944891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.944891 (E_RNA)
where:
Base-Base interactions energy: -56.252
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.313
local terms energy: -62.380369
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.593
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: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -247.070512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.070512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.070512 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.625
local terms energy: -92.810179
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -271.198712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.198712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.198712 (E_RNA)
where:
Base-Base interactions energy: -175.472
where: short stacking energy: -69.669
Base-Backbone interact. energy: -1.027
local terms energy: -94.699533
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -195.887822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.887822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.887822 (E_RNA)
where:
Base-Base interactions energy: -111.575
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.480
local terms energy: -83.832940
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.450
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -266.187145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.187145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.187145 (E_RNA)
where:
Base-Base interactions energy: -169.871
where: short stacking energy: -74.968
Base-Backbone interact. energy: -0.947
local terms energy: -95.369970
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -127.384077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.384077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.384077 (E_RNA)
where:
Base-Base interactions energy: -52.562
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.068
local terms energy: -74.753677
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -179.459405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.459405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.459405 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -46.088
Base-Backbone interact. energy: -1.275
local terms energy: -77.746765
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -13.683
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: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -111.297718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.297718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.297718 (E_RNA)
where:
Base-Base interactions energy: -52.397
where: short stacking energy: -34.961
Base-Backbone interact. energy: 1.375
local terms energy: -60.276184
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -105.721445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.721445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.721445 (E_RNA)
where:
Base-Base interactions energy: -43.036
where: short stacking energy: -27.855
Base-Backbone interact. energy: 3.668
local terms energy: -66.354003
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -101.866218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866218 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -22.806
Base-Backbone interact. energy: -0.198
local terms energy: -66.873427
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -107.417681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.417681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.417681 (E_RNA)
where:
Base-Base interactions energy: -39.524
where: short stacking energy: -32.377
Base-Backbone interact. energy: 0.304
local terms energy: -68.197844
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -264.960735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.960735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.960735 (E_RNA)
where:
Base-Base interactions energy: -178.543
where: short stacking energy: -77.328
Base-Backbone interact. energy: -0.335
local terms energy: -86.083647
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -224.311881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.311881 (E_RNA)
where:
Base-Base interactions energy: -140.358
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.687
local terms energy: -83.267244
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -14.631
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: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -269.560609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.560609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.560609 (E_RNA)
where:
Base-Base interactions energy: -163.269
where: short stacking energy: -77.908
Base-Backbone interact. energy: -0.964
local terms energy: -105.327738
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -26.695
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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -206.445838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.445838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.445838 (E_RNA)
where:
Base-Base interactions energy: -112.816
where: short stacking energy: -58.818
Base-Backbone interact. energy: -0.147
local terms energy: -93.482652
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -14.863
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -245.903058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.903058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.903058 (E_RNA)
where:
Base-Base interactions energy: -154.132
where: short stacking energy: -65.351
Base-Backbone interact. energy: -3.217
local terms energy: -88.553775
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -127.829808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.829808 (E_RNA)
where:
Base-Base interactions energy: -48.321
where: short stacking energy: -43.312
Base-Backbone interact. energy: -0.039
local terms energy: -79.469677
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -112.304083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.304083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.304083 (E_RNA)
where:
Base-Base interactions energy: -44.459
where: short stacking energy: -44.459
Base-Backbone interact. energy: -0.199
local terms energy: -67.646278
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -125.902283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.902283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.902283 (E_RNA)
where:
Base-Base interactions energy: -58.655
where: short stacking energy: -43.330
Base-Backbone interact. energy: 0.420
local terms energy: -67.667776
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -100.871044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.871044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.871044 (E_RNA)
where:
Base-Base interactions energy: -35.040
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.216
local terms energy: -65.614320
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -11.198
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: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -114.074615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.074615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.074615 (E_RNA)
where:
Base-Base interactions energy: -40.193
where: short stacking energy: -29.640
Base-Backbone interact. energy: 2.106
local terms energy: -75.986918
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -261.460366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.460366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.460366 (E_RNA)
where:
Base-Base interactions energy: -170.039
where: short stacking energy: -73.137
Base-Backbone interact. energy: 0.184
local terms energy: -91.605375
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -279.321368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.321368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.321368 (E_RNA)
where:
Base-Base interactions energy: -171.859
where: short stacking energy: -85.212
Base-Backbone interact. energy: -1.084
local terms energy: -106.378610
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -213.004614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.004614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.004614 (E_RNA)
where:
Base-Base interactions energy: -126.572
where: short stacking energy: -61.315
Base-Backbone interact. energy: -0.624
local terms energy: -85.808881
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -12.242
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -255.600548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.600548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.600548 (E_RNA)
where:
Base-Base interactions energy: -180.153
where: short stacking energy: -69.351
Base-Backbone interact. energy: -3.864
local terms energy: -71.583746
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -190.498092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.498092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.498092 (E_RNA)
where:
Base-Base interactions energy: -108.012
where: short stacking energy: -56.333
Base-Backbone interact. energy: -1.017
local terms energy: -81.469091
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -116.016528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.016528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.016528 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -41.555
Base-Backbone interact. energy: -1.180
local terms energy: -68.190826
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -107.117715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.117715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.117715 (E_RNA)
where:
Base-Base interactions energy: -40.690
where: short stacking energy: -32.841
Base-Backbone interact. energy: 0.922
local terms energy: -67.349268
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -101.744147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.744147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.744147 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -30.127
Base-Backbone interact. energy: 0.535
local terms energy: -66.596730
where:
bonds (distance) C4'-P energy: -22.511
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -7.600
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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -114.902391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.902391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.902391 (E_RNA)
where:
Base-Base interactions energy: -49.649
where: short stacking energy: -37.004
Base-Backbone interact. energy: 0.327
local terms energy: -65.580227
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -93.913970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.913970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.913970 (E_RNA)
where:
Base-Base interactions energy: -43.317
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.750
local terms energy: -49.847066
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: 9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -290.068219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.068219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.068219 (E_RNA)
where:
Base-Base interactions energy: -179.001
where: short stacking energy: -91.484
Base-Backbone interact. energy: -0.336
local terms energy: -110.731003
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -261.714449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.714449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.714449 (E_RNA)
where:
Base-Base interactions energy: -155.935
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.401
local terms energy: -105.378662
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -266.918152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.918152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.918152 (E_RNA)
where:
Base-Base interactions energy: -179.121
where: short stacking energy: -77.878
Base-Backbone interact. energy: 0.258
local terms energy: -88.054502
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -182.004964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.004964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.004964 (E_RNA)
where:
Base-Base interactions energy: -101.834
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.038
local terms energy: -80.132488
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -11.496
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: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -169.894585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.894585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.894585 (E_RNA)
where:
Base-Base interactions energy: -87.000
where: short stacking energy: -52.215
Base-Backbone interact. energy: 0.198
local terms energy: -83.092576
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -10.160
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: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -126.845194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.845194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.845194 (E_RNA)
where:
Base-Base interactions energy: -45.050
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.120
local terms energy: -81.675181
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -130.312774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.312774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.312774 (E_RNA)
where:
Base-Base interactions energy: -55.051
where: short stacking energy: -20.456
Base-Backbone interact. energy: -0.209
local terms energy: -75.053431
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -115.814107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.814107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.814107 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -39.064
Base-Backbone interact. energy: -0.235
local terms energy: -72.033750
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -7.270
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: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -93.172356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172356 (E_RNA)
where:
Base-Base interactions energy: -26.490
where: short stacking energy: -22.036
Base-Backbone interact. energy: -0.347
local terms energy: -66.335484
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -99.779523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.779523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.779523 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.436
local terms energy: -62.539958
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -284.017237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.017237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.017237 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -86.493
Base-Backbone interact. energy: -0.023
local terms energy: -109.396217
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -298.561947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.561947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.561947 (E_RNA)
where:
Base-Base interactions energy: -189.734
where: short stacking energy: -77.198
Base-Backbone interact. energy: 0.388
local terms energy: -109.216250
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -244.662922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.662922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.662922 (E_RNA)
where:
Base-Base interactions energy: -156.034
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.354
local terms energy: -88.274638
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -201.114231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.114231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.114231 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.112
local terms energy: -87.539598
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -139.334662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.334662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.334662 (E_RNA)
where:
Base-Base interactions energy: -57.602
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.074
local terms energy: -81.658585
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -121.943837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.943837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.943837 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -39.925
Base-Backbone interact. energy: 1.541
local terms energy: -81.314306
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.713
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -122.488025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.488025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.488025 (E_RNA)
where:
Base-Base interactions energy: -56.012
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.879
local terms energy: -65.597912
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -110.005162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.005162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.005162 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -26.249
Base-Backbone interact. energy: 0.469
local terms energy: -65.445507
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -102.534505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.534505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.534505 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -32.350
Base-Backbone interact. energy: -0.876
local terms energy: -59.284229
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.462
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -98.256118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.256118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.256118 (E_RNA)
where:
Base-Base interactions energy: -27.473
where: short stacking energy: -23.838
Base-Backbone interact. energy: 0.123
local terms energy: -70.906526
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -278.899844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.899844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.899844 (E_RNA)
where:
Base-Base interactions energy: -171.069
where: short stacking energy: -78.953
Base-Backbone interact. energy: -2.619
local terms energy: -105.212247
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -300.505056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.505056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.505056 (E_RNA)
where:
Base-Base interactions energy: -202.254
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.307
local terms energy: -97.944882
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -263.972943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.972943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.972943 (E_RNA)
where:
Base-Base interactions energy: -180.067
where: short stacking energy: -70.316
Base-Backbone interact. energy: 0.863
local terms energy: -84.768432
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -214.351100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.351100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.351100 (E_RNA)
where:
Base-Base interactions energy: -131.543
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.086
local terms energy: -82.721696
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -153.624187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.624187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.624187 (E_RNA)
where:
Base-Base interactions energy: -94.775
where: short stacking energy: -43.679
Base-Backbone interact. energy: 1.322
local terms energy: -60.171770
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -131.368072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.368072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.368072 (E_RNA)
where:
Base-Base interactions energy: -52.201
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.128
local terms energy: -79.039733
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -5.486
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: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -105.948270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.948270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.948270 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -33.935
Base-Backbone interact. energy: -0.730
local terms energy: -69.624872
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -1.104
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: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -104.004028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.004028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.004028 (E_RNA)
where:
Base-Base interactions energy: -44.570
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.339
local terms energy: -59.095693
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: 2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -105.304684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.304684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.304684 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -33.355
Base-Backbone interact. energy: -0.049
local terms energy: -68.337108
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -99.528433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.528433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.528433 (E_RNA)
where:
Base-Base interactions energy: -30.567
where: short stacking energy: -21.525
Base-Backbone interact. energy: 1.391
local terms energy: -70.352523
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.349
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -275.580270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.580270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.580270 (E_RNA)
where:
Base-Base interactions energy: -170.445
where: short stacking energy: -82.472
Base-Backbone interact. energy: -0.013
local terms energy: -105.122148
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -283.493590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.493590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.493590 (E_RNA)
where:
Base-Base interactions energy: -180.202
where: short stacking energy: -82.013
Base-Backbone interact. energy: -0.123
local terms energy: -103.169170
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -315.043665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.043665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.043665 (E_RNA)
where:
Base-Base interactions energy: -201.930
where: short stacking energy: -81.229
Base-Backbone interact. energy: -0.188
local terms energy: -112.925808
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -28.027
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -220.872909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.872909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.872909 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -63.615
Base-Backbone interact. energy: 1.241
local terms energy: -93.220766
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -221.566495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566495 (E_RNA)
where:
Base-Base interactions energy: -123.291
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.250
local terms energy: -98.025779
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -123.512942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.512942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.512942 (E_RNA)
where:
Base-Base interactions energy: -53.947
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.337
local terms energy: -69.229178
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: 2.057
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: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -127.791592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.791592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.791592 (E_RNA)
where:
Base-Base interactions energy: -57.682
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.474
local terms energy: -69.635643
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -13.132
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: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -130.490813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.490813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.490813 (E_RNA)
where:
Base-Base interactions energy: -53.084
where: short stacking energy: -32.192
Base-Backbone interact. energy: -0.056
local terms energy: -77.351007
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -101.789441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.789441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.789441 (E_RNA)
where:
Base-Base interactions energy: -32.938
where: short stacking energy: -31.947
Base-Backbone interact. energy: -0.349
local terms energy: -68.502540
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -25.095
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -3.273
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -102.505720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.505720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.505720 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -28.322
Base-Backbone interact. energy: 1.966
local terms energy: -71.629624
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -302.621884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.621884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.621884 (E_RNA)
where:
Base-Base interactions energy: -201.579
where: short stacking energy: -85.476
Base-Backbone interact. energy: -0.423
local terms energy: -100.619899
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -274.597983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.597983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.597983 (E_RNA)
where:
Base-Base interactions energy: -169.110
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.027
local terms energy: -105.461022
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -18.525
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -311.538596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.538596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.538596 (E_RNA)
where:
Base-Base interactions energy: -203.833
where: short stacking energy: -83.912
Base-Backbone interact. energy: -0.092
local terms energy: -107.613572
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -251.878447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.878447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.878447 (E_RNA)
where:
Base-Base interactions energy: -169.537
where: short stacking energy: -59.639
Base-Backbone interact. energy: 1.933
local terms energy: -84.274172
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -195.240008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.240008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.240008 (E_RNA)
where:
Base-Base interactions energy: -106.042
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.060
local terms energy: -89.137248
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -14.353
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: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -126.883199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.883199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.883199 (E_RNA)
where:
Base-Base interactions energy: -48.976
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.388
local terms energy: -77.519567
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -14.275
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: 14
Temperature: 1.200000
Total energy: -124.558943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.558943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.558943 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -32.213
Base-Backbone interact. energy: 0.454
local terms energy: -77.484647
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -16.306
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: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -102.533873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.533873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.533873 (E_RNA)
where:
Base-Base interactions energy: -38.927
where: short stacking energy: -33.856
Base-Backbone interact. energy: -0.123
local terms energy: -63.483609
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -96.089122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.089122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.089122 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -26.370
Base-Backbone interact. energy: 0.020
local terms energy: -66.194218
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -5.068
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: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -96.991525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.991525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.991525 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.162
local terms energy: -67.021350
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.747
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: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -298.754668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.754668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.754668 (E_RNA)
where:
Base-Base interactions energy: -196.954
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.385
local terms energy: -101.415415
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -319.919947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.919947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.919947 (E_RNA)
where:
Base-Base interactions energy: -207.035
where: short stacking energy: -90.675
Base-Backbone interact. energy: -0.116
local terms energy: -112.769313
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -25.136
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -279.168360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.168360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.168360 (E_RNA)
where:
Base-Base interactions energy: -170.488
where: short stacking energy: -85.800
Base-Backbone interact. energy: 0.467
local terms energy: -109.146429
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -28.124
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: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -254.292983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.292983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.292983 (E_RNA)
where:
Base-Base interactions energy: -158.121
where: short stacking energy: -71.892
Base-Backbone interact. energy: -0.354
local terms energy: -95.818027
where:
bonds (distance) C4'-P energy: -23.334
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -190.709807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.709807 (E_RNA)
where:
Base-Base interactions energy: -112.813
where: short stacking energy: -51.913
Base-Backbone interact. energy: 0.066
local terms energy: -77.962704
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -132.567498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.567498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.567498 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -45.263
Base-Backbone interact. energy: -0.193
local terms energy: -85.293465
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -112.320712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.320712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.320712 (E_RNA)
where:
Base-Base interactions energy: -44.094
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.159
local terms energy: -68.068086
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -103.616947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.616947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.616947 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.149
local terms energy: -75.122073
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -95.956502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.956502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.956502 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -17.138
Base-Backbone interact. energy: -0.089
local terms energy: -67.378261
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: 5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -100.600786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.600786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.600786 (E_RNA)
where:
Base-Base interactions energy: -25.430
where: short stacking energy: -23.335
Base-Backbone interact. energy: 0.128
local terms energy: -75.298786
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -11.866
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: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -354.881272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.881272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.881272 (E_RNA)
where:
Base-Base interactions energy: -244.469
where: short stacking energy: -97.708
Base-Backbone interact. energy: 0.844
local terms energy: -111.256402
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -282.424413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.424413 (E_RNA)
where:
Base-Base interactions energy: -186.333
where: short stacking energy: -78.327
Base-Backbone interact. energy: 1.758
local terms energy: -97.849913
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -276.941129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.941129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.941129 (E_RNA)
where:
Base-Base interactions energy: -173.934
where: short stacking energy: -86.115
Base-Backbone interact. energy: -0.186
local terms energy: -102.821929
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -24.331
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: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -243.886088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.886088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.886088 (E_RNA)
where:
Base-Base interactions energy: -165.381
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.303
local terms energy: -78.201931
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -8.584
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: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -134.280688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.280688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.280688 (E_RNA)
where:
Base-Base interactions energy: -60.169
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.077
local terms energy: -74.034588
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -3.190
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: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -210.288093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288093 (E_RNA)
where:
Base-Base interactions energy: -125.919
where: short stacking energy: -48.798
Base-Backbone interact. energy: -0.110
local terms energy: -84.258788
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -115.239581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.239581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.239581 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.638
local terms energy: -75.740169
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: 2.148
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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -157.665948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.665948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.665948 (E_RNA)
where:
Base-Base interactions energy: -80.994
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.544
local terms energy: -76.127691
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.225
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: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -112.159398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.159398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.159398 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -33.637
Base-Backbone interact. energy: -0.118
local terms energy: -78.404400
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -100.469516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.469516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.469516 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.379
local terms energy: -67.267309
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -354.481315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.481315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.481315 (E_RNA)
where:
Base-Base interactions energy: -243.847
where: short stacking energy: -103.942
Base-Backbone interact. energy: -0.045
local terms energy: -110.589680
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -29.327
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: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -294.291157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.291157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.291157 (E_RNA)
where:
Base-Base interactions energy: -184.963
where: short stacking energy: -88.439
Base-Backbone interact. energy: -0.783
local terms energy: -108.545298
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -27.194
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: 17
Temperature: 1.000000
Total energy: -272.504893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.504893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.504893 (E_RNA)
where:
Base-Base interactions energy: -180.282
where: short stacking energy: -78.909
Base-Backbone interact. energy: 3.095
local terms energy: -95.317282
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -243.515658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.515658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.515658 (E_RNA)
where:
Base-Base interactions energy: -160.909
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.262
local terms energy: -82.344390
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -144.873807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.873807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.873807 (E_RNA)
where:
Base-Base interactions energy: -63.886
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.270
local terms energy: -80.717592
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -11.714
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -172.439915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439915 (E_RNA)
where:
Base-Base interactions energy: -99.465
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.594
local terms energy: -72.380485
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.237
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -120.443216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.443216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.443216 (E_RNA)
where:
Base-Base interactions energy: -48.387
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.096
local terms energy: -71.960540
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -102.750733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.750733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.750733 (E_RNA)
where:
Base-Base interactions energy: -40.513
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.686
local terms energy: -61.551129
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -13.276
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -103.944159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.944159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.944159 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -21.379
Base-Backbone interact. energy: -0.408
local terms energy: -70.779878
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -97.766077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766077 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -17.199
Base-Backbone interact. energy: -0.216
local terms energy: -62.211579
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: 7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -359.342616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.342616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.342616 (E_RNA)
where:
Base-Base interactions energy: -244.957
where: short stacking energy: -96.044
Base-Backbone interact. energy: -0.079
local terms energy: -114.306394
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -283.560713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.560713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.560713 (E_RNA)
where:
Base-Base interactions energy: -185.641
where: short stacking energy: -78.583
Base-Backbone interact. energy: -0.710
local terms energy: -97.208763
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -264.217229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.217229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.217229 (E_RNA)
where:
Base-Base interactions energy: -180.263
where: short stacking energy: -62.290
Base-Backbone interact. energy: -0.406
local terms energy: -83.548161
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -12.883
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: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -248.861132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.861132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.861132 (E_RNA)
where:
Base-Base interactions energy: -169.857
where: short stacking energy: -74.038
Base-Backbone interact. energy: -0.124
local terms energy: -78.880095
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.750
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: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -207.840450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.840450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.840450 (E_RNA)
where:
Base-Base interactions energy: -117.337
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.341
local terms energy: -90.161784
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -128.277030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.277030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.277030 (E_RNA)
where:
Base-Base interactions energy: -56.820
where: short stacking energy: -34.871
Base-Backbone interact. energy: 0.660
local terms energy: -72.116852
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -111.824194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.824194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.824194 (E_RNA)
where:
Base-Base interactions energy: -40.072
where: short stacking energy: -38.835
Base-Backbone interact. energy: -0.008
local terms energy: -71.744307
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -7.375
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: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -123.112709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.112709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.112709 (E_RNA)
where:
Base-Base interactions energy: -56.327
where: short stacking energy: -31.452
Base-Backbone interact. energy: 1.594
local terms energy: -68.379362
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -104.918477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918477 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -24.613
Base-Backbone interact. energy: -0.354
local terms energy: -69.101441
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -9.417
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: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -92.807215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.807215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.807215 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.246
local terms energy: -63.103460
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -363.979252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.979252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.979252 (E_RNA)
where:
Base-Base interactions energy: -242.928
where: short stacking energy: -95.310
Base-Backbone interact. energy: -0.100
local terms energy: -120.951450
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -35.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -295.501192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.501192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.501192 (E_RNA)
where:
Base-Base interactions energy: -198.958
where: short stacking energy: -74.462
Base-Backbone interact. energy: -0.250
local terms energy: -96.292906
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -274.682304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.682304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.682304 (E_RNA)
where:
Base-Base interactions energy: -173.695
where: short stacking energy: -78.556
Base-Backbone interact. energy: -0.323
local terms energy: -100.664507
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -254.996944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.996944 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.054
local terms energy: -92.967428
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -171.872430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.872430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.872430 (E_RNA)
where:
Base-Base interactions energy: -84.283
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.928
local terms energy: -86.661316
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -8.397
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: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -125.389970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.389970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.389970 (E_RNA)
where:
Base-Base interactions energy: -54.360
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.728
local terms energy: -70.302580
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -165.641454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.641454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.641454 (E_RNA)
where:
Base-Base interactions energy: -96.428
where: short stacking energy: -32.183
Base-Backbone interact. energy: -0.845
local terms energy: -68.368050
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -12.312
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: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -106.259400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.259400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.259400 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -21.623
Base-Backbone interact. energy: -0.103
local terms energy: -80.898806
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -99.591236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.591236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.591236 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -24.062
Base-Backbone interact. energy: -0.939
local terms energy: -66.355897
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: 2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -103.947683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.947683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.947683 (E_RNA)
where:
Base-Base interactions energy: -40.527
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.077
local terms energy: -63.344025
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.304
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: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -361.205337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.205337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.205337 (E_RNA)
where:
Base-Base interactions energy: -252.129
where: short stacking energy: -99.548
Base-Backbone interact. energy: -0.606
local terms energy: -108.470594
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -302.981205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.981205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.981205 (E_RNA)
where:
Base-Base interactions energy: -210.292
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.225
local terms energy: -92.464474
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -269.259829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.259829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.259829 (E_RNA)
where:
Base-Base interactions energy: -174.595
where: short stacking energy: -83.669
Base-Backbone interact. energy: -1.992
local terms energy: -92.673094
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -23.731
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -252.928030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.928030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.928030 (E_RNA)
where:
Base-Base interactions energy: -160.516
where: short stacking energy: -72.434
Base-Backbone interact. energy: 0.990
local terms energy: -93.401550
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -19.071
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: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -195.337433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.337433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.337433 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.012
local terms energy: -81.241133
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -141.607560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.607560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.607560 (E_RNA)
where:
Base-Base interactions energy: -88.318
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.352
local terms energy: -52.936973
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -185.481755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.481755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.481755 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.450
local terms energy: -68.105801
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -105.544906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.544906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.544906 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -27.698
Base-Backbone interact. energy: 0.110
local terms energy: -67.072043
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -119.065204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.065204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.065204 (E_RNA)
where:
Base-Base interactions energy: -54.552
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.749
local terms energy: -63.764349
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -100.424287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.424287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.424287 (E_RNA)
where:
Base-Base interactions energy: -36.247
where: short stacking energy: -30.879
Base-Backbone interact. energy: -0.538
local terms energy: -63.638749
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -363.742360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.742360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.742360 (E_RNA)
where:
Base-Base interactions energy: -247.635
where: short stacking energy: -96.801
Base-Backbone interact. energy: 0.465
local terms energy: -116.572634
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -30.459
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: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -282.391227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.391227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.391227 (E_RNA)
where:
Base-Base interactions energy: -191.068
where: short stacking energy: -76.917
Base-Backbone interact. energy: -0.246
local terms energy: -91.076741
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -278.719589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.719589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.719589 (E_RNA)
where:
Base-Base interactions energy: -182.393
where: short stacking energy: -83.234
Base-Backbone interact. energy: -0.255
local terms energy: -96.071457
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -249.487322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.487322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.487322 (E_RNA)
where:
Base-Base interactions energy: -157.931
where: short stacking energy: -79.870
Base-Backbone interact. energy: 1.479
local terms energy: -93.035217
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -160.384309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.384309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.384309 (E_RNA)
where:
Base-Base interactions energy: -92.781
where: short stacking energy: -43.258
Base-Backbone interact. energy: 1.344
local terms energy: -68.947982
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -151.286698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.286698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.286698 (E_RNA)
where:
Base-Base interactions energy: -82.776
where: short stacking energy: -37.398
Base-Backbone interact. energy: 1.767
local terms energy: -70.278525
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.252
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: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -200.888593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.888593 (E_RNA)
where:
Base-Base interactions energy: -113.940
where: short stacking energy: -56.614
Base-Backbone interact. energy: 0.723
local terms energy: -87.671063
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.213
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -124.855959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.855959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.855959 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.239
local terms energy: -84.207868
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -11.895
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: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -97.071916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.071916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.071916 (E_RNA)
where:
Base-Base interactions energy: -36.860
where: short stacking energy: -20.339
Base-Backbone interact. energy: 0.737
local terms energy: -60.949701
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: 2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -103.323093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.323093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.323093 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -20.445
Base-Backbone interact. energy: -1.288
local terms energy: -65.169754
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: 3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -359.013171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.013171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.013171 (E_RNA)
where:
Base-Base interactions energy: -244.075
where: short stacking energy: -97.728
Base-Backbone interact. energy: -0.068
local terms energy: -114.870052
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -31.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -282.189488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.189488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.189488 (E_RNA)
where:
Base-Base interactions energy: -187.777
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.411
local terms energy: -94.001060
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -273.467473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.467473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.467473 (E_RNA)
where:
Base-Base interactions energy: -173.864
where: short stacking energy: -88.177
Base-Backbone interact. energy: -0.846
local terms energy: -98.756948
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -262.084657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.084657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.084657 (E_RNA)
where:
Base-Base interactions energy: -177.696
where: short stacking energy: -66.597
Base-Backbone interact. energy: -1.226
local terms energy: -83.161925
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -164.959996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.959996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.959996 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -39.970
Base-Backbone interact. energy: 0.274
local terms energy: -80.297129
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -187.649005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.649005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.649005 (E_RNA)
where:
Base-Base interactions energy: -108.546
where: short stacking energy: -54.133
Base-Backbone interact. energy: -1.350
local terms energy: -77.752194
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -5.192
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -197.090327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.090327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.090327 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.098
local terms energy: -78.428985
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -121.075700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.075700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.075700 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.021
local terms energy: -78.856287
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -12.178
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -106.390764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.390764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.390764 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -23.474
Base-Backbone interact. energy: -0.295
local terms energy: -69.426213
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -100.044208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.044208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.044208 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.457
local terms energy: -70.758279
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.283
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: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -368.123212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.123212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.123212 (E_RNA)
where:
Base-Base interactions energy: -249.078
where: short stacking energy: -101.896
Base-Backbone interact. energy: -0.528
local terms energy: -118.517479
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -34.891
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -294.553425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.553425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.553425 (E_RNA)
where:
Base-Base interactions energy: -199.393
where: short stacking energy: -75.407
Base-Backbone interact. energy: 1.740
local terms energy: -96.900534
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -263.030611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.030611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.030611 (E_RNA)
where:
Base-Base interactions energy: -159.988
where: short stacking energy: -86.034
Base-Backbone interact. energy: -0.161
local terms energy: -102.881484
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -22.399
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: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -267.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.038201 (E_RNA)
where:
Base-Base interactions energy: -165.908
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.153
local terms energy: -100.977237
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -204.091772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.091772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.091772 (E_RNA)
where:
Base-Base interactions energy: -122.818
where: short stacking energy: -64.005
Base-Backbone interact. energy: 0.187
local terms energy: -81.460892
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -204.566615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.566615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.566615 (E_RNA)
where:
Base-Base interactions energy: -115.235
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.013
local terms energy: -89.318413
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -165.431178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.431178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.431178 (E_RNA)
where:
Base-Base interactions energy: -81.525
where: short stacking energy: -35.842
Base-Backbone interact. energy: -1.420
local terms energy: -82.486056
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -14.603
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -108.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.914127 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -21.098
Base-Backbone interact. energy: -1.622
local terms energy: -58.295779
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -9.026
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: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -95.984740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.984740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.984740 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.113
local terms energy: -62.638087
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -14.440
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: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -89.539965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.539965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.539965 (E_RNA)
where:
Base-Base interactions energy: -19.770
where: short stacking energy: -18.898
Base-Backbone interact. energy: -0.116
local terms energy: -69.654898
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -362.207945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.207945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.207945 (E_RNA)
where:
Base-Base interactions energy: -247.771
where: short stacking energy: -102.642
Base-Backbone interact. energy: -0.005
local terms energy: -114.432582
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -301.895305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.895305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.895305 (E_RNA)
where:
Base-Base interactions energy: -201.664
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.833
local terms energy: -99.398385
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -23.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -290.765161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.765161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.765161 (E_RNA)
where:
Base-Base interactions energy: -192.061
where: short stacking energy: -76.869
Base-Backbone interact. energy: 0.240
local terms energy: -98.943929
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -255.805365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.805365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.805365 (E_RNA)
where:
Base-Base interactions energy: -158.208
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.037
local terms energy: -97.560427
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -23.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -223.575497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.575497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.575497 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.326
local terms energy: -72.026852
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -13.482
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: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -202.141860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.141860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.141860 (E_RNA)
where:
Base-Base interactions energy: -119.180
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.103
local terms energy: -82.859466
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -6.955
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: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -195.595270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.595270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.595270 (E_RNA)
where:
Base-Base interactions energy: -106.684
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.127
local terms energy: -88.784406
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -14.810
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -116.022998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.022998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.022998 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -33.659
Base-Backbone interact. energy: 0.976
local terms energy: -78.010661
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -16.833
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: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -96.731245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.731245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.731245 (E_RNA)
where:
Base-Base interactions energy: -25.699
where: short stacking energy: -25.552
Base-Backbone interact. energy: -1.014
local terms energy: -70.018373
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -5.017
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: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -92.296432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.296432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.296432 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -25.832
Base-Backbone interact. energy: -0.640
local terms energy: -64.930375
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.024
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: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -357.274477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.274477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.274477 (E_RNA)
where:
Base-Base interactions energy: -243.025
where: short stacking energy: -97.438
Base-Backbone interact. energy: -0.006
local terms energy: -114.243321
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -302.970446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.970446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.970446 (E_RNA)
where:
Base-Base interactions energy: -210.938
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.947
local terms energy: -91.084933
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -287.587219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.587219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.587219 (E_RNA)
where:
Base-Base interactions energy: -190.059
where: short stacking energy: -70.495
Base-Backbone interact. energy: -0.499
local terms energy: -97.029964
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -227.636259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.636259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.636259 (E_RNA)
where:
Base-Base interactions energy: -144.148
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.256
local terms energy: -83.231955
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -240.759395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.759395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.759395 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -61.755
Base-Backbone interact. energy: 0.261
local terms energy: -95.119399
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -201.686140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.686140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.686140 (E_RNA)
where:
Base-Base interactions energy: -128.678
where: short stacking energy: -56.104
Base-Backbone interact. energy: 0.504
local terms energy: -73.511749
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -209.411559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.411559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.411559 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -59.635
Base-Backbone interact. energy: 1.164
local terms energy: -86.656725
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -8.785
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: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -111.942957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.942957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.942957 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.521
local terms energy: -75.922938
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -90.848232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.848232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.848232 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -17.638
Base-Backbone interact. energy: 0.381
local terms energy: -59.049329
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -94.298155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.298155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.298155 (E_RNA)
where:
Base-Base interactions energy: -26.621
where: short stacking energy: -21.630
Base-Backbone interact. energy: 0.409
local terms energy: -68.085846
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -8.103
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: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -359.083537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.083537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.083537 (E_RNA)
where:
Base-Base interactions energy: -242.571
where: short stacking energy: -98.416
Base-Backbone interact. energy: -0.003
local terms energy: -116.509348
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -33.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -312.430829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.430829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.430829 (E_RNA)
where:
Base-Base interactions energy: -211.655
where: short stacking energy: -86.091
Base-Backbone interact. energy: -0.178
local terms energy: -100.597752
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -281.256464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.256464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.256464 (E_RNA)
where:
Base-Base interactions energy: -187.966
where: short stacking energy: -75.454
Base-Backbone interact. energy: -0.544
local terms energy: -92.746277
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -205.505580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.505580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.505580 (E_RNA)
where:
Base-Base interactions energy: -122.870
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.357
local terms energy: -82.279252
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -12.035
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: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -252.972236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.972236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.972236 (E_RNA)
where:
Base-Base interactions energy: -150.799
where: short stacking energy: -68.856
Base-Backbone interact. energy: -0.380
local terms energy: -101.793611
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -203.525324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525324 (E_RNA)
where:
Base-Base interactions energy: -117.586
where: short stacking energy: -55.151
Base-Backbone interact. energy: -1.166
local terms energy: -84.772937
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -13.186
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: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -207.498358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.498358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.498358 (E_RNA)
where:
Base-Base interactions energy: -121.320
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.593
local terms energy: -85.584859
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -105.581718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.581718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.581718 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -22.817
Base-Backbone interact. energy: 0.228
local terms energy: -69.357093
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -14.059
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: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -107.796319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.796319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.796319 (E_RNA)
where:
Base-Base interactions energy: -47.545
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.505
local terms energy: -59.746792
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -99.193142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.193142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.193142 (E_RNA)
where:
Base-Base interactions energy: -37.026
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.594
local terms energy: -61.572816
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -364.514132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.514132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.514132 (E_RNA)
where:
Base-Base interactions energy: -247.031
where: short stacking energy: -99.008
Base-Backbone interact. energy: -0.032
local terms energy: -117.450775
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -31.468
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: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -304.144484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.144484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.144484 (E_RNA)
where:
Base-Base interactions energy: -213.253
where: short stacking energy: -81.125
Base-Backbone interact. energy: 0.669
local terms energy: -91.559749
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -22.988
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -281.639362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.639362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.639362 (E_RNA)
where:
Base-Base interactions energy: -184.297
where: short stacking energy: -72.961
Base-Backbone interact. energy: -1.045
local terms energy: -96.297416
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -268.744694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.744694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.744694 (E_RNA)
where:
Base-Base interactions energy: -164.690
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.994
local terms energy: -103.060653
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -195.118882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.118882 (E_RNA)
where:
Base-Base interactions energy: -117.506
where: short stacking energy: -54.953
Base-Backbone interact. energy: -1.009
local terms energy: -76.603952
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -7.595
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: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -236.353575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.353575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.353575 (E_RNA)
where:
Base-Base interactions energy: -157.402
where: short stacking energy: -72.786
Base-Backbone interact. energy: -0.877
local terms energy: -78.074109
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -192.005889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.005889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.005889 (E_RNA)
where:
Base-Base interactions energy: -102.248
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.060
local terms energy: -89.698269
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -108.944467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.944467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.944467 (E_RNA)
where:
Base-Base interactions energy: -37.229
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.397
local terms energy: -71.319315
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -9.134
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: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -115.584611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.584611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.584611 (E_RNA)
where:
Base-Base interactions energy: -51.717
where: short stacking energy: -24.029
Base-Backbone interact. energy: 3.129
local terms energy: -66.996666
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -101.168279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.168279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.168279 (E_RNA)
where:
Base-Base interactions energy: -40.715
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.474
local terms energy: -59.979787
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -373.761835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.761835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.761835 (E_RNA)
where:
Base-Base interactions energy: -251.513
where: short stacking energy: -108.989
Base-Backbone interact. energy: -0.001
local terms energy: -122.248186
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -36.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -296.915093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.915093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.915093 (E_RNA)
where:
Base-Base interactions energy: -207.172
where: short stacking energy: -72.541
Base-Backbone interact. energy: 0.410
local terms energy: -90.153009
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -274.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.458580 (E_RNA)
where:
Base-Base interactions energy: -169.353
where: short stacking energy: -79.971
Base-Backbone interact. energy: -1.035
local terms energy: -104.070145
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -24.137
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -282.194142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.194142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.194142 (E_RNA)
where:
Base-Base interactions energy: -187.213
where: short stacking energy: -61.528
Base-Backbone interact. energy: -1.433
local terms energy: -93.548370
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -240.281203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.281203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.281203 (E_RNA)
where:
Base-Base interactions energy: -155.567
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.656
local terms energy: -84.057974
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -14.616
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -186.214902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.214902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.214902 (E_RNA)
where:
Base-Base interactions energy: -104.128
where: short stacking energy: -52.300
Base-Backbone interact. energy: 0.111
local terms energy: -82.197691
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -10.884
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: 28
Temperature: 1.200000
Total energy: -214.662227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.662227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.662227 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.339
local terms energy: -77.765893
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -103.173641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.173641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.173641 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.444
local terms energy: -68.653353
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -106.966485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.966485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.966485 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -27.591
Base-Backbone interact. energy: 0.126
local terms energy: -70.028182
where:
bonds (distance) C4'-P energy: -25.432
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -97.418584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418584 (E_RNA)
where:
Base-Base interactions energy: -33.168
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.418
local terms energy: -63.832546
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -3.021
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: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -366.861998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.861998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.861998 (E_RNA)
where:
Base-Base interactions energy: -247.545
where: short stacking energy: -104.117
Base-Backbone interact. energy: -0.005
local terms energy: -119.312300
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -35.751
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: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -297.848289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.848289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.848289 (E_RNA)
where:
Base-Base interactions energy: -209.618
where: short stacking energy: -63.919
Base-Backbone interact. energy: -1.226
local terms energy: -87.004485
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -18.065
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -260.096775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.096775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.096775 (E_RNA)
where:
Base-Base interactions energy: -169.939
where: short stacking energy: -79.792
Base-Backbone interact. energy: -0.396
local terms energy: -89.761271
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -277.735513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.735513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.735513 (E_RNA)
where:
Base-Base interactions energy: -170.273
where: short stacking energy: -78.648
Base-Backbone interact. energy: -0.429
local terms energy: -107.033274
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -29.313
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: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -264.565556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.565556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.565556 (E_RNA)
where:
Base-Base interactions energy: -173.364
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.077
local terms energy: -91.125405
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -201.561471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561471 (E_RNA)
where:
Base-Base interactions energy: -113.371
where: short stacking energy: -58.274
Base-Backbone interact. energy: 1.678
local terms energy: -89.868974
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -15.406
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -174.886026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.886026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.886026 (E_RNA)
where:
Base-Base interactions energy: -98.232
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.136
local terms energy: -76.518166
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -116.384377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.384377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.384377 (E_RNA)
where:
Base-Base interactions energy: -46.841
where: short stacking energy: -33.656
Base-Backbone interact. energy: -1.370
local terms energy: -68.173710
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -93.887249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.887249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.887249 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -33.606
Base-Backbone interact. energy: 0.421
local terms energy: -58.439390
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.760
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: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -100.754742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.754742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.754742 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.449
local terms energy: -69.448808
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -11.097
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: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -358.092152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.092152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.092152 (E_RNA)
where:
Base-Base interactions energy: -239.924
where: short stacking energy: -100.959
Base-Backbone interact. energy: -1.039
local terms energy: -117.129128
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -33.298
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -288.543061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.543061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.543061 (E_RNA)
where:
Base-Base interactions energy: -188.474
where: short stacking energy: -58.070
Base-Backbone interact. energy: 0.793
local terms energy: -100.861376
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -273.910360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.910360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.910360 (E_RNA)
where:
Base-Base interactions energy: -166.978
where: short stacking energy: -76.487
Base-Backbone interact. energy: -0.088
local terms energy: -106.844609
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -24.276
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -275.749708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.749708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.749708 (E_RNA)
where:
Base-Base interactions energy: -191.284
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.455
local terms energy: -84.011662
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -266.498651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.498651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.498651 (E_RNA)
where:
Base-Base interactions energy: -163.064
where: short stacking energy: -76.363
Base-Backbone interact. energy: -0.052
local terms energy: -103.383202
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -25.146
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: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -212.625036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.625036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.625036 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.195
local terms energy: -80.654535
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -15.651
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -171.928465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.928465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.928465 (E_RNA)
where:
Base-Base interactions energy: -87.658
where: short stacking energy: -45.617
Base-Backbone interact. energy: -0.085
local terms energy: -84.185214
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -105.865526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865526 (E_RNA)
where:
Base-Base interactions energy: -27.844
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.111
local terms energy: -77.910105
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -8.534
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: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -107.047348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.047348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.047348 (E_RNA)
where:
Base-Base interactions energy: -48.457
where: short stacking energy: -25.434
Base-Backbone interact. energy: -1.106
local terms energy: -57.484267
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: 2.232
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: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -100.010483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.010483 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -14.122
Base-Backbone interact. energy: -0.036
local terms energy: -68.223047
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -0.615
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: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -357.943416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.943416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.943416 (E_RNA)
where:
Base-Base interactions energy: -236.624
where: short stacking energy: -95.136
Base-Backbone interact. energy: -0.650
local terms energy: -120.669103
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -280.409869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.409869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.409869 (E_RNA)
where:
Base-Base interactions energy: -180.796
where: short stacking energy: -79.906
Base-Backbone interact. energy: -0.929
local terms energy: -98.685164
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -26.729
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -263.041011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.041011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.041011 (E_RNA)
where:
Base-Base interactions energy: -166.566
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.308
local terms energy: -96.167284
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -263.854043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.854043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.854043 (E_RNA)
where:
Base-Base interactions energy: -172.664
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.196
local terms energy: -90.993760
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -265.381618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.381618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.381618 (E_RNA)
where:
Base-Base interactions energy: -178.917
where: short stacking energy: -73.317
Base-Backbone interact. energy: 1.286
local terms energy: -87.750441
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -192.299155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.299155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.299155 (E_RNA)
where:
Base-Base interactions energy: -111.407
where: short stacking energy: -54.583
Base-Backbone interact. energy: -0.319
local terms energy: -80.573358
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.840
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -161.779304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.779304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.779304 (E_RNA)
where:
Base-Base interactions energy: -99.714
where: short stacking energy: -51.446
Base-Backbone interact. energy: -0.315
local terms energy: -61.751202
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -103.417221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.417221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.417221 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -27.625
Base-Backbone interact. energy: -0.439
local terms energy: -70.198047
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -10.203
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: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -112.509859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.509859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.509859 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -26.342
Base-Backbone interact. energy: 0.080
local terms energy: -67.966828
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -93.428659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.428659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.428659 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -19.914
Base-Backbone interact. energy: -1.792
local terms energy: -67.055350
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -7.386
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: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -368.950447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.950447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.950447 (E_RNA)
where:
Base-Base interactions energy: -247.562
where: short stacking energy: -105.410
Base-Backbone interact. energy: -0.003
local terms energy: -121.385536
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -286.133971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.133971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.133971 (E_RNA)
where:
Base-Base interactions energy: -180.428
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.787
local terms energy: -104.918667
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -25.079
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: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -283.814737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.814737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.814737 (E_RNA)
where:
Base-Base interactions energy: -181.536
where: short stacking energy: -73.718
Base-Backbone interact. energy: -1.415
local terms energy: -100.864000
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -261.304438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.304438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.304438 (E_RNA)
where:
Base-Base interactions energy: -170.441
where: short stacking energy: -57.587
Base-Backbone interact. energy: -1.228
local terms energy: -89.635894
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -16.463
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -325.194106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.194106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.194106 (E_RNA)
where:
Base-Base interactions energy: -217.082
where: short stacking energy: -85.952
Base-Backbone interact. energy: -0.097
local terms energy: -108.015433
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -30.507
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -201.284827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.284827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.284827 (E_RNA)
where:
Base-Base interactions energy: -115.399
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.265
local terms energy: -85.619900
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -13.584
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: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -185.405133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.405133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.405133 (E_RNA)
where:
Base-Base interactions energy: -105.158
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.104
local terms energy: -80.143296
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -120.999057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.999057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.999057 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -31.359
Base-Backbone interact. energy: -0.334
local terms energy: -79.784883
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -172.424672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.424672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.424672 (E_RNA)
where:
Base-Base interactions energy: -106.456
where: short stacking energy: -43.171
Base-Backbone interact. energy: -0.396
local terms energy: -65.572572
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -107.754357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.754357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.754357 (E_RNA)
where:
Base-Base interactions energy: -28.136
where: short stacking energy: -26.248
Base-Backbone interact. energy: 0.170
local terms energy: -79.789064
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -361.792470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.792470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.792470 (E_RNA)
where:
Base-Base interactions energy: -243.543
where: short stacking energy: -93.003
Base-Backbone interact. energy: -0.081
local terms energy: -118.168302
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -279.870822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.870822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.870822 (E_RNA)
where:
Base-Base interactions energy: -176.863
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.602
local terms energy: -102.405696
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -268.941432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.941432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.941432 (E_RNA)
where:
Base-Base interactions energy: -169.625
where: short stacking energy: -78.230
Base-Backbone interact. energy: -0.099
local terms energy: -99.217730
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -339.947597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.947597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.947597 (E_RNA)
where:
Base-Base interactions energy: -228.271
where: short stacking energy: -90.833
Base-Backbone interact. energy: -0.174
local terms energy: -111.502708
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -29.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -259.230812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.230812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.230812 (E_RNA)
where:
Base-Base interactions energy: -172.174
where: short stacking energy: -58.446
Base-Backbone interact. energy: -0.344
local terms energy: -86.712608
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -191.285767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.285767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.285767 (E_RNA)
where:
Base-Base interactions energy: -112.411
where: short stacking energy: -42.622
Base-Backbone interact. energy: 0.984
local terms energy: -79.858660
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -10.614
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -199.434272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.434272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.434272 (E_RNA)
where:
Base-Base interactions energy: -106.437
where: short stacking energy: -45.515
Base-Backbone interact. energy: 0.491
local terms energy: -93.488980
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -112.692330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.692330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.692330 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -41.586
Base-Backbone interact. energy: -0.251
local terms energy: -65.274949
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -111.797632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.797632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.797632 (E_RNA)
where:
Base-Base interactions energy: -43.511
where: short stacking energy: -26.712
Base-Backbone interact. energy: -0.152
local terms energy: -68.134319
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -10.775
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: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -98.387790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.387790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.387790 (E_RNA)
where:
Base-Base interactions energy: -30.526
where: short stacking energy: -28.005
Base-Backbone interact. energy: -0.243
local terms energy: -67.618302
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -365.757583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.757583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.757583 (E_RNA)
where:
Base-Base interactions energy: -242.048
where: short stacking energy: -103.992
Base-Backbone interact. energy: -0.412
local terms energy: -123.297191
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -35.979
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -278.671024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.671024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.671024 (E_RNA)
where:
Base-Base interactions energy: -185.456
where: short stacking energy: -74.191
Base-Backbone interact. energy: -0.589
local terms energy: -92.625303
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -358.544532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.544532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.544532 (E_RNA)
where:
Base-Base interactions energy: -250.426
where: short stacking energy: -95.830
Base-Backbone interact. energy: -0.004
local terms energy: -108.114373
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -271.342305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.342305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.342305 (E_RNA)
where:
Base-Base interactions energy: -174.969
where: short stacking energy: -81.707
Base-Backbone interact. energy: -0.040
local terms energy: -96.333805
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -240.410598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.410598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.410598 (E_RNA)
where:
Base-Base interactions energy: -152.951
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.505
local terms energy: -86.954420
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -17.468
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: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -185.479760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.479760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.479760 (E_RNA)
where:
Base-Base interactions energy: -104.100
where: short stacking energy: -38.797
Base-Backbone interact. energy: -0.210
local terms energy: -81.169642
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -208.922180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.922180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.922180 (E_RNA)
where:
Base-Base interactions energy: -129.243
where: short stacking energy: -72.766
Base-Backbone interact. energy: -0.376
local terms energy: -79.302571
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -17.204
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: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -105.493886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.493886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.493886 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.195
local terms energy: -70.766689
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -104.043989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.043989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.043989 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -31.581
Base-Backbone interact. energy: -2.142
local terms energy: -70.297161
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -109.619101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.619101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.619101 (E_RNA)
where:
Base-Base interactions energy: -41.577
where: short stacking energy: -39.266
Base-Backbone interact. energy: 1.844
local terms energy: -69.885923
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -373.659934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.659934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.659934 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -100.849
Base-Backbone interact. energy: -0.001
local terms energy: -124.640291
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -34.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -359.134797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.134797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.134797 (E_RNA)
where:
Base-Base interactions energy: -243.896
where: short stacking energy: -103.729
Base-Backbone interact. energy: -0.002
local terms energy: -115.237283
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -33.884
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -281.374912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.374912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.374912 (E_RNA)
where:
Base-Base interactions energy: -185.708
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.490
local terms energy: -95.176524
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -267.223380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.223380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.223380 (E_RNA)
where:
Base-Base interactions energy: -167.337
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.253
local terms energy: -99.633364
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -23.211
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: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -253.239086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.239086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.239086 (E_RNA)
where:
Base-Base interactions energy: -155.544
where: short stacking energy: -67.238
Base-Backbone interact. energy: -1.630
local terms energy: -96.065098
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -207.664594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.664594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.664594 (E_RNA)
where:
Base-Base interactions energy: -127.058
where: short stacking energy: -55.118
Base-Backbone interact. energy: 1.749
local terms energy: -82.356117
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -7.899
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -165.369452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.369452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.369452 (E_RNA)
where:
Base-Base interactions energy: -89.029
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.061
local terms energy: -76.280305
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -15.807
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: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -108.108997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.108997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.108997 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -30.370
Base-Backbone interact. energy: 1.544
local terms energy: -77.101381
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: 0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -112.157747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.157747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.157747 (E_RNA)
where:
Base-Base interactions energy: -46.924
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.274
local terms energy: -64.959848
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -92.396549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.396549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.396549 (E_RNA)
where:
Base-Base interactions energy: -37.457
where: short stacking energy: -27.459
Base-Backbone interact. energy: 0.641
local terms energy: -55.581106
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -369.260860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.260860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.260860 (E_RNA)
where:
Base-Base interactions energy: -250.636
where: short stacking energy: -106.249
Base-Backbone interact. energy: -0.118
local terms energy: -118.507121
where:
bonds (distance) C4'-P energy: -26.567
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -34.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -363.466497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.466497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.466497 (E_RNA)
where:
Base-Base interactions energy: -253.640
where: short stacking energy: -100.733
Base-Backbone interact. energy: 0.373
local terms energy: -110.199973
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -31.697
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: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -277.549096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.549096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.549096 (E_RNA)
where:
Base-Base interactions energy: -183.191
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.051
local terms energy: -94.306660
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -265.837360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.837360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.837360 (E_RNA)
where:
Base-Base interactions energy: -173.686
where: short stacking energy: -60.443
Base-Backbone interact. energy: 1.362
local terms energy: -93.513110
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -258.584767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.584767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.584767 (E_RNA)
where:
Base-Base interactions energy: -174.529
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.017
local terms energy: -84.038080
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -199.504893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.504893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.504893 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -55.694
Base-Backbone interact. energy: 0.815
local terms energy: -78.632069
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -125.567481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.567481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.567481 (E_RNA)
where:
Base-Base interactions energy: -58.173
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.135
local terms energy: -67.258736
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -185.624593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.624593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.624593 (E_RNA)
where:
Base-Base interactions energy: -102.164
where: short stacking energy: -42.959
Base-Backbone interact. energy: -1.441
local terms energy: -82.020120
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -100.607547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607547 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -19.145
Base-Backbone interact. energy: -0.154
local terms energy: -68.889501
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -93.527655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.527655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.527655 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.186
local terms energy: -54.149665
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: 5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -365.174341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.174341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.174341 (E_RNA)
where:
Base-Base interactions energy: -248.405
where: short stacking energy: -104.914
Base-Backbone interact. energy: -0.011
local terms energy: -116.758044
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -36.569
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -348.767014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.767014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.767014 (E_RNA)
where:
Base-Base interactions energy: -240.403
where: short stacking energy: -98.073
Base-Backbone interact. energy: -0.282
local terms energy: -108.081951
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -29.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -282.744615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.744615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.744615 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -79.528
Base-Backbone interact. energy: -0.253
local terms energy: -108.179591
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -274.020129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.020129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.020129 (E_RNA)
where:
Base-Base interactions energy: -192.509
where: short stacking energy: -65.115
Base-Backbone interact. energy: -1.197
local terms energy: -80.314137
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -247.486818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.486818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.486818 (E_RNA)
where:
Base-Base interactions energy: -156.927
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.859
local terms energy: -89.700842
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -199.614822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.614822 (E_RNA)
where:
Base-Base interactions energy: -117.763
where: short stacking energy: -58.502
Base-Backbone interact. energy: -0.112
local terms energy: -81.739897
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -127.725705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.725705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.725705 (E_RNA)
where:
Base-Base interactions energy: -61.202
where: short stacking energy: -28.155
Base-Backbone interact. energy: -0.779
local terms energy: -65.744302
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: 1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -154.061355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.061355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.061355 (E_RNA)
where:
Base-Base interactions energy: -82.743
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.444
local terms energy: -70.874887
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -1.478
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: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -98.485067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.485067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.485067 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -28.615
Base-Backbone interact. energy: -1.596
local terms energy: -61.736821
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: 5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -102.399899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.399899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.399899 (E_RNA)
where:
Base-Base interactions energy: -35.354
where: short stacking energy: -33.375
Base-Backbone interact. energy: 0.062
local terms energy: -67.107569
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -359.299310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.299310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.299310 (E_RNA)
where:
Base-Base interactions energy: -245.255
where: short stacking energy: -104.307
Base-Backbone interact. energy: -0.134
local terms energy: -113.910919
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -33.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -358.013252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.013252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.013252 (E_RNA)
where:
Base-Base interactions energy: -248.293
where: short stacking energy: -97.094
Base-Backbone interact. energy: -0.065
local terms energy: -109.655027
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -278.330694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.330694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.330694 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -80.473
Base-Backbone interact. energy: -1.058
local terms energy: -111.132056
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -25.695
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -239.441322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.441322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.441322 (E_RNA)
where:
Base-Base interactions energy: -158.816
where: short stacking energy: -59.936
Base-Backbone interact. energy: -1.274
local terms energy: -79.351636
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -258.670268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.670268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.670268 (E_RNA)
where:
Base-Base interactions energy: -161.652
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.094
local terms energy: -96.924538
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -213.685359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.685359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.685359 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.251
local terms energy: -82.885451
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -184.890216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.890216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.890216 (E_RNA)
where:
Base-Base interactions energy: -99.667
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.624
local terms energy: -84.598933
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -115.885930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.885930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.885930 (E_RNA)
where:
Base-Base interactions energy: -44.905
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.446
local terms energy: -70.534801
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -10.727
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: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -101.650280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.650280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.650280 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -33.269
Base-Backbone interact. energy: -1.414
local terms energy: -61.241004
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -13.934
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: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -109.992969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.992969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.992969 (E_RNA)
where:
Base-Base interactions energy: -41.624
where: short stacking energy: -32.908
Base-Backbone interact. energy: 0.461
local terms energy: -68.830094
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -4.733
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: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -367.356195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.356195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.356195 (E_RNA)
where:
Base-Base interactions energy: -249.573
where: short stacking energy: -99.608
Base-Backbone interact. energy: -0.667
local terms energy: -117.115726
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -358.821757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.821757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.821757 (E_RNA)
where:
Base-Base interactions energy: -245.106
where: short stacking energy: -103.228
Base-Backbone interact. energy: -0.622
local terms energy: -113.094670
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -287.886659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.886659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.886659 (E_RNA)
where:
Base-Base interactions energy: -184.111
where: short stacking energy: -91.210
Base-Backbone interact. energy: -0.227
local terms energy: -103.548866
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -32.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -272.371894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.371894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.371894 (E_RNA)
where:
Base-Base interactions energy: -179.672
where: short stacking energy: -86.742
Base-Backbone interact. energy: -0.251
local terms energy: -92.448094
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -235.283119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.283119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.283119 (E_RNA)
where:
Base-Base interactions energy: -148.113
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.549
local terms energy: -86.620686
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -15.382
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -183.737174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.737174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.737174 (E_RNA)
where:
Base-Base interactions energy: -112.962
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.426
local terms energy: -70.349503
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -239.223675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.223675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.223675 (E_RNA)
where:
Base-Base interactions energy: -156.957
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.143
local terms energy: -82.123227
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -114.404708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.404708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.404708 (E_RNA)
where:
Base-Base interactions energy: -51.291
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.411
local terms energy: -62.702384
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -107.402460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.402460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.402460 (E_RNA)
where:
Base-Base interactions energy: -43.727
where: short stacking energy: -16.051
Base-Backbone interact. energy: -0.565
local terms energy: -63.110134
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -111.780796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.780796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.780796 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.139
local terms energy: -66.064906
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -12.269
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: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -361.177538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.177538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.177538 (E_RNA)
where:
Base-Base interactions energy: -250.322
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.095
local terms energy: -110.760724
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -354.891740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.891740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.891740 (E_RNA)
where:
Base-Base interactions energy: -240.400
where: short stacking energy: -97.938
Base-Backbone interact. energy: -0.001
local terms energy: -114.491067
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -263.196571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.196571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.196571 (E_RNA)
where:
Base-Base interactions energy: -166.835
where: short stacking energy: -68.510
Base-Backbone interact. energy: -1.869
local terms energy: -94.492643
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -263.062966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.062966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.062966 (E_RNA)
where:
Base-Base interactions energy: -174.119
where: short stacking energy: -79.366
Base-Backbone interact. energy: 0.012
local terms energy: -88.955986
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -240.177006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.177006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.177006 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -53.196
Base-Backbone interact. energy: -2.033
local terms energy: -85.501172
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -197.247802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.247802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.247802 (E_RNA)
where:
Base-Base interactions energy: -109.694
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.438
local terms energy: -87.116609
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -234.898585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.898585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.898585 (E_RNA)
where:
Base-Base interactions energy: -150.751
where: short stacking energy: -69.830
Base-Backbone interact. energy: 1.343
local terms energy: -85.491103
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -105.895407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.895407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.895407 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.246
local terms energy: -71.119059
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -99.011014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.011014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.011014 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -19.973
Base-Backbone interact. energy: -1.168
local terms energy: -58.953648
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.621
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: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -95.425846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.425846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.425846 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.311
local terms energy: -55.233712
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -6.535
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: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -362.937126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.937126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.937126 (E_RNA)
where:
Base-Base interactions energy: -240.988
where: short stacking energy: -98.110
Base-Backbone interact. energy: -0.230
local terms energy: -121.719743
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -33.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -346.884982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.884982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.884982 (E_RNA)
where:
Base-Base interactions energy: -234.103
where: short stacking energy: -91.609
Base-Backbone interact. energy: -0.003
local terms energy: -112.778754
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -31.076
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -261.587347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.587347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.587347 (E_RNA)
where:
Base-Base interactions energy: -182.519
where: short stacking energy: -69.903
Base-Backbone interact. energy: 0.303
local terms energy: -79.370850
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -266.751363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.751363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.751363 (E_RNA)
where:
Base-Base interactions energy: -185.473
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.673
local terms energy: -80.605340
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -11.392
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: 41
Temperature: 1.100000
Total energy: -247.269305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.269305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.269305 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -69.562
Base-Backbone interact. energy: -0.062
local terms energy: -91.314868
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -22.924
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -244.863491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.863491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.863491 (E_RNA)
where:
Base-Base interactions energy: -157.521
where: short stacking energy: -62.726
Base-Backbone interact. energy: 0.489
local terms energy: -87.831442
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -189.554554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.554554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.554554 (E_RNA)
where:
Base-Base interactions energy: -110.067
where: short stacking energy: -47.567
Base-Backbone interact. energy: 1.906
local terms energy: -81.393632
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.669
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -111.912403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.912403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.912403 (E_RNA)
where:
Base-Base interactions energy: -54.448
where: short stacking energy: -49.664
Base-Backbone interact. energy: 2.145
local terms energy: -59.609233
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -90.755957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.755957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.755957 (E_RNA)
where:
Base-Base interactions energy: -33.066
where: short stacking energy: -26.678
Base-Backbone interact. energy: -0.202
local terms energy: -57.488633
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -2.068
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: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -107.668684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.668684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.668684 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.917
local terms energy: -74.843814
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -363.220179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.220179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.220179 (E_RNA)
where:
Base-Base interactions energy: -243.741
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.069
local terms energy: -119.409688
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -33.474
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: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -356.331699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.331699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.331699 (E_RNA)
where:
Base-Base interactions energy: -247.466
where: short stacking energy: -93.744
Base-Backbone interact. energy: -0.047
local terms energy: -108.819044
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -31.569
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: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -250.525577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.525577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.525577 (E_RNA)
where:
Base-Base interactions energy: -171.861
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.204
local terms energy: -78.460524
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -273.509084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.509084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.509084 (E_RNA)
where:
Base-Base interactions energy: -184.860
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.805
local terms energy: -87.844441
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -304.719453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.719453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.719453 (E_RNA)
where:
Base-Base interactions energy: -197.943
where: short stacking energy: -82.621
Base-Backbone interact. energy: -0.005
local terms energy: -106.771132
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -29.512
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: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -248.554053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.554053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.554053 (E_RNA)
where:
Base-Base interactions energy: -163.786
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.029
local terms energy: -84.739197
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -183.324919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.324919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.324919 (E_RNA)
where:
Base-Base interactions energy: -109.137
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.113
local terms energy: -74.075033
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -108.308475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.308475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.308475 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.295
local terms energy: -72.307537
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -17.839
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: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -88.381018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.381018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.381018 (E_RNA)
where:
Base-Base interactions energy: -17.963
where: short stacking energy: -8.888
Base-Backbone interact. energy: 0.371
local terms energy: -70.789277
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -9.004
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: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -98.262281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262281 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -30.150
Base-Backbone interact. energy: -0.155
local terms energy: -61.647143
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: 1.143
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -359.421738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.421738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.421738 (E_RNA)
where:
Base-Base interactions energy: -251.744
where: short stacking energy: -97.495
Base-Backbone interact. energy: 1.139
local terms energy: -108.816620
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -31.567
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -356.080329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.080329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.080329 (E_RNA)
where:
Base-Base interactions energy: -247.063
where: short stacking energy: -100.440
Base-Backbone interact. energy: -0.020
local terms energy: -108.996837
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -271.394207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.394207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.394207 (E_RNA)
where:
Base-Base interactions energy: -177.084
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.454
local terms energy: -93.856015
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -317.210726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.210726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.210726 (E_RNA)
where:
Base-Base interactions energy: -210.544
where: short stacking energy: -82.601
Base-Backbone interact. energy: 0.413
local terms energy: -107.079173
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -24.335
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: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -286.017126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.017126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017126 (E_RNA)
where:
Base-Base interactions energy: -199.615
where: short stacking energy: -78.771
Base-Backbone interact. energy: -0.391
local terms energy: -86.010804
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -203.219532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.219532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.219532 (E_RNA)
where:
Base-Base interactions energy: -113.793
where: short stacking energy: -53.169
Base-Backbone interact. energy: -1.170
local terms energy: -88.256296
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -200.578890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.578890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.578890 (E_RNA)
where:
Base-Base interactions energy: -126.930
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.255
local terms energy: -73.393726
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.405
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: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -109.888452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.888452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.888452 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.442
local terms energy: -68.649673
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -100.231836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.231836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.231836 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -31.642
Base-Backbone interact. energy: -0.214
local terms energy: -67.946908
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.748
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: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -98.303781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.303781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.303781 (E_RNA)
where:
Base-Base interactions energy: -40.315
where: short stacking energy: -25.741
Base-Backbone interact. energy: 0.972
local terms energy: -58.961044
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -375.736350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.736350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.736350 (E_RNA)
where:
Base-Base interactions energy: -257.358
where: short stacking energy: -104.775
Base-Backbone interact. energy: -0.436
local terms energy: -117.942291
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -37.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -358.596389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.596389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.596389 (E_RNA)
where:
Base-Base interactions energy: -250.470
where: short stacking energy: -99.158
Base-Backbone interact. energy: -0.003
local terms energy: -108.123671
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -30.194
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -324.630010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.630010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.630010 (E_RNA)
where:
Base-Base interactions energy: -220.459
where: short stacking energy: -86.488
Base-Backbone interact. energy: 0.471
local terms energy: -104.642115
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -265.783661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.783661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.783661 (E_RNA)
where:
Base-Base interactions energy: -190.433
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.460
local terms energy: -74.890839
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -260.574503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.574503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.574503 (E_RNA)
where:
Base-Base interactions energy: -170.196
where: short stacking energy: -63.555
Base-Backbone interact. energy: -0.337
local terms energy: -90.041620
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -229.908832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.908832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.908832 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.414
local terms energy: -88.261455
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -161.135819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.135819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.135819 (E_RNA)
where:
Base-Base interactions energy: -78.891
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.440
local terms energy: -81.804989
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -115.248511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.248511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.248511 (E_RNA)
where:
Base-Base interactions energy: -45.920
where: short stacking energy: -37.024
Base-Backbone interact. energy: -0.856
local terms energy: -68.472289
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -4.990
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: 44
Temperature: 1.300000
Total energy: -102.583212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.583212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.583212 (E_RNA)
where:
Base-Base interactions energy: -54.708
where: short stacking energy: -28.979
Base-Backbone interact. energy: -1.134
local terms energy: -46.741394
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: 5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -91.003683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003683 (E_RNA)
where:
Base-Base interactions energy: -26.770
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.402
local terms energy: -63.832369
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.843
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -364.644024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.644024 (E_RNA)
where:
Base-Base interactions energy: -247.627
where: short stacking energy: -99.106
Base-Backbone interact. energy: -0.011
local terms energy: -117.005763
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -35.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -354.854586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.854586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.854586 (E_RNA)
where:
Base-Base interactions energy: -231.647
where: short stacking energy: -87.192
Base-Backbone interact. energy: 0.465
local terms energy: -123.672288
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -352.179277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.179277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.179277 (E_RNA)
where:
Base-Base interactions energy: -241.876
where: short stacking energy: -100.149
Base-Backbone interact. energy: 0.215
local terms energy: -110.518816
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -263.980941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.980941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.980941 (E_RNA)
where:
Base-Base interactions energy: -166.398
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.571
local terms energy: -97.011877
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -252.777961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.777961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.777961 (E_RNA)
where:
Base-Base interactions energy: -161.929
where: short stacking energy: -66.065
Base-Backbone interact. energy: -1.255
local terms energy: -89.594282
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -231.247109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.247109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.247109 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -76.114
Base-Backbone interact. energy: -0.353
local terms energy: -87.131688
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -135.653644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.653644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.653644 (E_RNA)
where:
Base-Base interactions energy: -65.189
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.166
local terms energy: -70.298965
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -12.131
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: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -122.969963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.969963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.969963 (E_RNA)
where:
Base-Base interactions energy: -54.300
where: short stacking energy: -31.045
Base-Backbone interact. energy: -0.019
local terms energy: -68.650714
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -101.600088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.600088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.600088 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -37.430
Base-Backbone interact. energy: 0.238
local terms energy: -50.967657
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -1.429
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -105.594357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.594357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.594357 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.633
local terms energy: -73.527161
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -15.861
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: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -363.155472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.155472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.155472 (E_RNA)
where:
Base-Base interactions energy: -242.468
where: short stacking energy: -104.380
Base-Backbone interact. energy: -0.027
local terms energy: -120.660110
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -33.033
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -362.559944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.559944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.559944 (E_RNA)
where:
Base-Base interactions energy: -239.189
where: short stacking energy: -103.121
Base-Backbone interact. energy: -0.002
local terms energy: -123.368835
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -35.017
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: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -348.959496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.959496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.959496 (E_RNA)
where:
Base-Base interactions energy: -244.429
where: short stacking energy: -96.955
Base-Backbone interact. energy: -0.006
local terms energy: -104.525184
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -34.653
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -250.091530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091530 (E_RNA)
where:
Base-Base interactions energy: -170.077
where: short stacking energy: -62.751
Base-Backbone interact. energy: 0.704
local terms energy: -80.718961
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -237.180556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.180556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.180556 (E_RNA)
where:
Base-Base interactions energy: -156.608
where: short stacking energy: -58.492
Base-Backbone interact. energy: -0.387
local terms energy: -80.185794
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -250.739041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.739041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.739041 (E_RNA)
where:
Base-Base interactions energy: -166.073
where: short stacking energy: -65.456
Base-Backbone interact. energy: 0.485
local terms energy: -85.150589
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -123.085663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.085663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.085663 (E_RNA)
where:
Base-Base interactions energy: -59.886
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.090
local terms energy: -63.109470
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -7.719
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: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -112.785282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.785282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.785282 (E_RNA)
where:
Base-Base interactions energy: -49.628
where: short stacking energy: -13.139
Base-Backbone interact. energy: -1.639
local terms energy: -61.518360
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.788
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: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -102.268611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.268611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.268611 (E_RNA)
where:
Base-Base interactions energy: -43.322
where: short stacking energy: -38.380
Base-Backbone interact. energy: 2.841
local terms energy: -61.787844
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -97.774079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.774079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.774079 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -21.410
Base-Backbone interact. energy: -0.829
local terms energy: -58.818229
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: 0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -365.856480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.856480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.856480 (E_RNA)
where:
Base-Base interactions energy: -253.734
where: short stacking energy: -109.123
Base-Backbone interact. energy: -0.006
local terms energy: -112.116316
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -32.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -352.179355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.179355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.179355 (E_RNA)
where:
Base-Base interactions energy: -239.360
where: short stacking energy: -93.221
Base-Backbone interact. energy: -0.158
local terms energy: -112.661146
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -351.899645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.899645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.899645 (E_RNA)
where:
Base-Base interactions energy: -242.721
where: short stacking energy: -102.259
Base-Backbone interact. energy: -0.121
local terms energy: -109.057833
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -30.623
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -236.249851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.249851 (E_RNA)
where:
Base-Base interactions energy: -143.982
where: short stacking energy: -51.883
Base-Backbone interact. energy: -0.396
local terms energy: -91.870892
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -225.294991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.294991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.294991 (E_RNA)
where:
Base-Base interactions energy: -144.038
where: short stacking energy: -54.611
Base-Backbone interact. energy: -1.499
local terms energy: -79.758005
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -22.259
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -234.321844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.321844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.321844 (E_RNA)
where:
Base-Base interactions energy: -148.880
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.241
local terms energy: -85.200865
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -122.009783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.009783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.009783 (E_RNA)
where:
Base-Base interactions energy: -49.060
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.040
local terms energy: -72.909659
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -110.934963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.934963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.934963 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.167
local terms energy: -65.760840
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -107.553064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553064 (E_RNA)
where:
Base-Base interactions energy: -36.041
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.127
local terms energy: -71.384870
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: 2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -90.083333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.083333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.083333 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -10.975
Base-Backbone interact. energy: -1.495
local terms energy: -54.700057
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: 6.289
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: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -366.839107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.839107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.839107 (E_RNA)
where:
Base-Base interactions energy: -249.636
where: short stacking energy: -98.642
Base-Backbone interact. energy: -0.010
local terms energy: -117.193078
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -35.058
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: 48
Temperature: 0.950000
Total energy: -357.938595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.938595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.938595 (E_RNA)
where:
Base-Base interactions energy: -244.850
where: short stacking energy: -98.612
Base-Backbone interact. energy: 0.197
local terms energy: -113.286131
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -353.848315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.848315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.848315 (E_RNA)
where:
Base-Base interactions energy: -240.141
where: short stacking energy: -97.647
Base-Backbone interact. energy: 0.398
local terms energy: -114.105688
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -253.810664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.810664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.810664 (E_RNA)
where:
Base-Base interactions energy: -162.328
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.408
local terms energy: -91.075381
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -224.228429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.228429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.228429 (E_RNA)
where:
Base-Base interactions energy: -154.154
where: short stacking energy: -55.131
Base-Backbone interact. energy: 2.130
local terms energy: -72.205146
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -11.595
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: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -207.423309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.423309 (E_RNA)
where:
Base-Base interactions energy: -121.781
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.352
local terms energy: -85.290670
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -104.035775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.035775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.035775 (E_RNA)
where:
Base-Base interactions energy: -46.045
where: short stacking energy: -16.489
Base-Backbone interact. energy: -0.494
local terms energy: -57.497011
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: 8.461
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -123.638127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.638127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.638127 (E_RNA)
where:
Base-Base interactions energy: -57.882
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.137
local terms energy: -65.618882
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 1.121
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: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -92.619274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.619274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.619274 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -18.178
Base-Backbone interact. energy: -0.284
local terms energy: -53.959278
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: 5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -103.213980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213980 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.039
local terms energy: -65.176838
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -3.104
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: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -367.566440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.566440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.566440 (E_RNA)
where:
Base-Base interactions energy: -245.082
where: short stacking energy: -96.496
Base-Backbone interact. energy: -0.096
local terms energy: -122.388905
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -32.565
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: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -352.652742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.652742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.652742 (E_RNA)
where:
Base-Base interactions energy: -238.594
where: short stacking energy: -104.255
Base-Backbone interact. energy: -0.001
local terms energy: -114.057860
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -32.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -352.912448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.912448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.912448 (E_RNA)
where:
Base-Base interactions energy: -248.139
where: short stacking energy: -99.625
Base-Backbone interact. energy: -0.006
local terms energy: -104.768223
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -261.152377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.152377 (E_RNA)
where:
Base-Base interactions energy: -183.956
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.496
local terms energy: -76.699991
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -231.067654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.067654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.067654 (E_RNA)
where:
Base-Base interactions energy: -139.090
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.154
local terms energy: -91.823570
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -202.291949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.291949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.291949 (E_RNA)
where:
Base-Base interactions energy: -121.886
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.565
local terms energy: -79.841499
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -115.599995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.599995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.599995 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -29.251
Base-Backbone interact. energy: 1.217
local terms energy: -77.179375
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -108.143739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.143739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.143739 (E_RNA)
where:
Base-Base interactions energy: -48.659
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.853
local terms energy: -58.631565
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -126.825408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.825408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.825408 (E_RNA)
where:
Base-Base interactions energy: -52.173
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.392
local terms energy: -74.259917
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -99.748520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.748520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.748520 (E_RNA)
where:
Base-Base interactions energy: -35.134
where: short stacking energy: -31.793
Base-Backbone interact. energy: -0.404
local terms energy: -64.210743
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -15.178
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: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -370.177053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.177053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.177053 (E_RNA)
where:
Base-Base interactions energy: -248.993
where: short stacking energy: -102.571
Base-Backbone interact. energy: -0.002
local terms energy: -121.181827
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -33.545
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: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -353.010401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.010401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.010401 (E_RNA)
where:
Base-Base interactions energy: -239.857
where: short stacking energy: -98.001
Base-Backbone interact. energy: -0.015
local terms energy: -113.138956
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -345.206879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.206879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.206879 (E_RNA)
where:
Base-Base interactions energy: -237.065
where: short stacking energy: -92.488
Base-Backbone interact. energy: -0.019
local terms energy: -108.122123
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -258.701230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.701230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.701230 (E_RNA)
where:
Base-Base interactions energy: -165.290
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.274
local terms energy: -93.137429
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -223.935301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.935301 (E_RNA)
where:
Base-Base interactions energy: -132.841
where: short stacking energy: -67.000
Base-Backbone interact. energy: 1.049
local terms energy: -92.142834
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -191.249928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.249928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.249928 (E_RNA)
where:
Base-Base interactions energy: -107.810
where: short stacking energy: -41.604
Base-Backbone interact. energy: 0.182
local terms energy: -83.622244
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -15.719
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -130.376055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.376055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.376055 (E_RNA)
where:
Base-Base interactions energy: -56.790
where: short stacking energy: -26.227
Base-Backbone interact. energy: -0.238
local terms energy: -73.347237
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -16.794
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -112.142694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.142694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.142694 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -32.187
Base-Backbone interact. energy: -1.046
local terms energy: -66.172033
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -128.790088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.790088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.790088 (E_RNA)
where:
Base-Base interactions energy: -58.341
where: short stacking energy: -28.067
Base-Backbone interact. energy: -0.361
local terms energy: -70.087475
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -98.540469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.540469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.540469 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -27.567
Base-Backbone interact. energy: -1.578
local terms energy: -62.208952
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: 5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -360.199388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.199388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.199388 (E_RNA)
where:
Base-Base interactions energy: -247.500
where: short stacking energy: -100.708
Base-Backbone interact. energy: 0.635
local terms energy: -113.334797
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -32.699
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: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -351.795855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.795855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.795855 (E_RNA)
where:
Base-Base interactions energy: -245.036
where: short stacking energy: -94.480
Base-Backbone interact. energy: -0.062
local terms energy: -106.697273
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -27.876
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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -358.018848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.018848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.018848 (E_RNA)
where:
Base-Base interactions energy: -246.088
where: short stacking energy: -104.098
Base-Backbone interact. energy: -0.009
local terms energy: -111.921931
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -280.899324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.899324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.899324 (E_RNA)
where:
Base-Base interactions energy: -179.381
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.196
local terms energy: -101.322881
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -216.713078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.713078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.713078 (E_RNA)
where:
Base-Base interactions energy: -134.039
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.103
local terms energy: -82.571675
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -13.573
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -175.088383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.088383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088383 (E_RNA)
where:
Base-Base interactions energy: -105.606
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.046
local terms energy: -69.436633
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -4.110
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: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -136.839991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.839991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.839991 (E_RNA)
where:
Base-Base interactions energy: -61.457
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.045
local terms energy: -75.338334
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -100.522048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.522048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.522048 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -24.462
Base-Backbone interact. energy: -0.195
local terms energy: -67.122210
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -95.311509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311509 (E_RNA)
where:
Base-Base interactions energy: -27.026
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.347
local terms energy: -67.938893
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -11.802
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: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -110.330136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.330136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.330136 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -41.946
Base-Backbone interact. energy: 1.961
local terms energy: -67.663814
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.637
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: 52
Temperature: 0.900000
Total energy: -363.354738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.354738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.354738 (E_RNA)
where:
Base-Base interactions energy: -249.822
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.455
local terms energy: -113.077652
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -32.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -364.443966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.443966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.443966 (E_RNA)
where:
Base-Base interactions energy: -245.018
where: short stacking energy: -102.656
Base-Backbone interact. energy: -0.532
local terms energy: -118.894435
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -35.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -350.283334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.283334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.283334 (E_RNA)
where:
Base-Base interactions energy: -240.229
where: short stacking energy: -95.199
Base-Backbone interact. energy: -0.188
local terms energy: -109.866298
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -31.855
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -286.270684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.270684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.270684 (E_RNA)
where:
Base-Base interactions energy: -177.655
where: short stacking energy: -80.733
Base-Backbone interact. energy: -0.013
local terms energy: -108.602878
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -216.355578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.355578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.355578 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -69.147
Base-Backbone interact. energy: 0.428
local terms energy: -89.473610
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -166.817062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.817062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.817062 (E_RNA)
where:
Base-Base interactions energy: -92.486
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.538
local terms energy: -73.792631
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.079
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -120.670468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.670468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.670468 (E_RNA)
where:
Base-Base interactions energy: -48.452
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.194
local terms energy: -72.024373
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -108.293256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.293256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.293256 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -15.293
Base-Backbone interact. energy: -0.449
local terms energy: -76.578079
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -4.742
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: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -115.620311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.620311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.620311 (E_RNA)
where:
Base-Base interactions energy: -49.367
where: short stacking energy: -23.489
Base-Backbone interact. energy: 0.559
local terms energy: -66.812035
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -14.308
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: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -99.698728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698728 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -26.358
Base-Backbone interact. energy: -0.215
local terms energy: -63.496325
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: 1.217
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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -361.264562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.264562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.264562 (E_RNA)
where:
Base-Base interactions energy: -243.037
where: short stacking energy: -98.548
Base-Backbone interact. energy: -0.013
local terms energy: -118.214038
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -35.027
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: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -359.486930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.486930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.486930 (E_RNA)
where:
Base-Base interactions energy: -249.633
where: short stacking energy: -100.860
Base-Backbone interact. energy: -0.006
local terms energy: -109.847471
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -30.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -349.543369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.543369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.543369 (E_RNA)
where:
Base-Base interactions energy: -232.925
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.067
local terms energy: -116.551841
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -35.786
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: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -299.044676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.044676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.044676 (E_RNA)
where:
Base-Base interactions energy: -195.199
where: short stacking energy: -76.383
Base-Backbone interact. energy: -1.253
local terms energy: -102.592829
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -233.054829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.054829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.054829 (E_RNA)
where:
Base-Base interactions energy: -145.188
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.212
local terms energy: -87.655671
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -193.147183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147183 (E_RNA)
where:
Base-Base interactions energy: -109.051
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.792
local terms energy: -83.303916
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -12.554
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: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -118.656647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.656647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.656647 (E_RNA)
where:
Base-Base interactions energy: -42.568
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.125
local terms energy: -75.964060
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -122.556103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.556103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.556103 (E_RNA)
where:
Base-Base interactions energy: -43.091
where: short stacking energy: -39.735
Base-Backbone interact. energy: -0.138
local terms energy: -79.327406
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -103.464064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.464064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.464064 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.064
local terms energy: -69.153364
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -96.243779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.243779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.243779 (E_RNA)
where:
Base-Base interactions energy: -34.468
where: short stacking energy: -24.859
Base-Backbone interact. energy: 0.579
local terms energy: -62.354637
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -365.798690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.798690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.798690 (E_RNA)
where:
Base-Base interactions energy: -257.873
where: short stacking energy: -100.732
Base-Backbone interact. energy: -0.055
local terms energy: -107.870923
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -33.898
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: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -366.791749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.791749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.791749 (E_RNA)
where:
Base-Base interactions energy: -245.369
where: short stacking energy: -101.254
Base-Backbone interact. energy: -1.056
local terms energy: -120.366460
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -350.164517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.164517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.164517 (E_RNA)
where:
Base-Base interactions energy: -237.831
where: short stacking energy: -94.598
Base-Backbone interact. energy: -0.457
local terms energy: -111.876213
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -34.872
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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -277.590737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.590737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.590737 (E_RNA)
where:
Base-Base interactions energy: -176.331
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.123
local terms energy: -101.136765
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -29.248
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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -218.566347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.566347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.566347 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.205
local terms energy: -85.902294
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -264.697576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.697576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.697576 (E_RNA)
where:
Base-Base interactions energy: -170.913
where: short stacking energy: -74.268
Base-Backbone interact. energy: -0.012
local terms energy: -93.772386
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -118.154069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.154069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.154069 (E_RNA)
where:
Base-Base interactions energy: -49.467
where: short stacking energy: -37.564
Base-Backbone interact. energy: 0.786
local terms energy: -69.473157
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -105.620830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.620830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.620830 (E_RNA)
where:
Base-Base interactions energy: -34.251
where: short stacking energy: -22.097
Base-Backbone interact. energy: -1.626
local terms energy: -69.744101
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -122.138652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.138652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.138652 (E_RNA)
where:
Base-Base interactions energy: -57.299
where: short stacking energy: -28.985
Base-Backbone interact. energy: -1.304
local terms energy: -63.535452
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: 2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -99.050494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.050494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.050494 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -25.065
Base-Backbone interact. energy: 0.525
local terms energy: -65.502079
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -368.418604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.418604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.418604 (E_RNA)
where:
Base-Base interactions energy: -242.536
where: short stacking energy: -106.572
Base-Backbone interact. energy: -0.018
local terms energy: -125.864691
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -32.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -353.953457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.953457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.953457 (E_RNA)
where:
Base-Base interactions energy: -239.216
where: short stacking energy: -92.026
Base-Backbone interact. energy: -0.044
local terms energy: -114.693532
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -26.680
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -33.076
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: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -353.750512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.750512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.750512 (E_RNA)
where:
Base-Base interactions energy: -239.475
where: short stacking energy: -94.206
Base-Backbone interact. energy: -0.006
local terms energy: -114.269164
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -34.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -278.372835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.372835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.372835 (E_RNA)
where:
Base-Base interactions energy: -172.735
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.140
local terms energy: -105.497940
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -30.186
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: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -215.071113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.071113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.071113 (E_RNA)
where:
Base-Base interactions energy: -127.272
where: short stacking energy: -60.457
Base-Backbone interact. energy: 0.084
local terms energy: -87.882593
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -274.184208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.184208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.184208 (E_RNA)
where:
Base-Base interactions energy: -171.583
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.437
local terms energy: -102.164726
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -120.248165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.248165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.248165 (E_RNA)
where:
Base-Base interactions energy: -50.596
where: short stacking energy: -23.034
Base-Backbone interact. energy: -0.953
local terms energy: -68.698802
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -111.157728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.157728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.157728 (E_RNA)
where:
Base-Base interactions energy: -49.788
where: short stacking energy: -30.786
Base-Backbone interact. energy: -0.256
local terms energy: -61.113692
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.859
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: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -111.028807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.028807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.028807 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -36.494
Base-Backbone interact. energy: -0.076
local terms energy: -74.459161
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -4.986
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: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -103.822640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.822640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.822640 (E_RNA)
where:
Base-Base interactions energy: -55.553
where: short stacking energy: -9.029
Base-Backbone interact. energy: -1.168
local terms energy: -47.101018
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: 8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -366.246616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.246616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.246616 (E_RNA)
where:
Base-Base interactions energy: -245.429
where: short stacking energy: -107.407
Base-Backbone interact. energy: -0.002
local terms energy: -120.815627
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -37.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -365.992015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.992015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.992015 (E_RNA)
where:
Base-Base interactions energy: -243.010
where: short stacking energy: -95.890
Base-Backbone interact. energy: -0.123
local terms energy: -122.858342
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -283.391054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.391054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.391054 (E_RNA)
where:
Base-Base interactions energy: -185.299
where: short stacking energy: -82.882
Base-Backbone interact. energy: -0.096
local terms energy: -97.995411
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -347.813962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.813962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.813962 (E_RNA)
where:
Base-Base interactions energy: -230.248
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.000
local terms energy: -117.565254
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -276.227987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.227987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.227987 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.207
local terms energy: -98.208466
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -178.662517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662517 (E_RNA)
where:
Base-Base interactions energy: -103.347
where: short stacking energy: -42.297
Base-Backbone interact. energy: -0.715
local terms energy: -74.600197
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -107.954248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.954248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.954248 (E_RNA)
where:
Base-Base interactions energy: -41.591
where: short stacking energy: -41.591
Base-Backbone interact. energy: 0.803
local terms energy: -67.166039
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -3.708
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: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -103.015856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.015856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.015856 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.469
local terms energy: -69.810222
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -101.178820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.178820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.178820 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -31.294
Base-Backbone interact. energy: -0.135
local terms energy: -69.749519
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -10.649
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: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -101.402287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.402287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.402287 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -20.419
Base-Backbone interact. energy: -0.539
local terms energy: -60.844345
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -14.064
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -366.353969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.353969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.353969 (E_RNA)
where:
Base-Base interactions energy: -249.280
where: short stacking energy: -103.732
Base-Backbone interact. energy: 0.178
local terms energy: -117.251490
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -34.781
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: 57
Temperature: 0.950000
Total energy: -354.616581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.616581 (E_RNA)
where:
Base-Base interactions energy: -239.071
where: short stacking energy: -93.413
Base-Backbone interact. energy: -0.850
local terms energy: -114.695454
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -296.268459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.268459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.268459 (E_RNA)
where:
Base-Base interactions energy: -193.929
where: short stacking energy: -78.185
Base-Backbone interact. energy: -0.938
local terms energy: -101.401874
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -335.252471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.252471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.252471 (E_RNA)
where:
Base-Base interactions energy: -231.504
where: short stacking energy: -91.675
Base-Backbone interact. energy: -0.519
local terms energy: -103.229944
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -29.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -314.713924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.713924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.713924 (E_RNA)
where:
Base-Base interactions energy: -209.743
where: short stacking energy: -83.073
Base-Backbone interact. energy: -0.028
local terms energy: -104.943020
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -26.079
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -188.282763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.282763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.282763 (E_RNA)
where:
Base-Base interactions energy: -111.758
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.736
local terms energy: -75.788168
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -13.207
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: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -122.747335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.747335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.747335 (E_RNA)
where:
Base-Base interactions energy: -56.747
where: short stacking energy: -38.156
Base-Backbone interact. energy: -1.480
local terms energy: -64.520052
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -119.731716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.731716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.731716 (E_RNA)
where:
Base-Base interactions energy: -51.208
where: short stacking energy: -33.818
Base-Backbone interact. energy: 0.801
local terms energy: -69.324572
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -14.610
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: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -104.939575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.939575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.939575 (E_RNA)
where:
Base-Base interactions energy: -45.776
where: short stacking energy: -23.512
Base-Backbone interact. energy: -1.032
local terms energy: -58.131638
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: 4.638
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: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -92.160286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.160286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.160286 (E_RNA)
where:
Base-Base interactions energy: -25.085
where: short stacking energy: -25.085
Base-Backbone interact. energy: -0.311
local terms energy: -66.764106
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.230
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -364.382793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.382793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.382793 (E_RNA)
where:
Base-Base interactions energy: -248.026
where: short stacking energy: -98.597
Base-Backbone interact. energy: -0.419
local terms energy: -115.938163
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -355.389465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.389465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.389465 (E_RNA)
where:
Base-Base interactions energy: -236.046
where: short stacking energy: -100.931
Base-Backbone interact. energy: -1.069
local terms energy: -118.273634
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -32.559
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -343.716633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.716633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.716633 (E_RNA)
where:
Base-Base interactions energy: -238.905
where: short stacking energy: -97.149
Base-Backbone interact. energy: -0.679
local terms energy: -104.132234
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -31.879
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: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -283.561798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.561798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.561798 (E_RNA)
where:
Base-Base interactions energy: -190.564
where: short stacking energy: -82.704
Base-Backbone interact. energy: -0.786
local terms energy: -92.211303
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -27.852
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -327.430026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.430026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.430026 (E_RNA)
where:
Base-Base interactions energy: -220.354
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.083
local terms energy: -106.992293
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -26.528
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -208.336520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.336520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.336520 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -53.583
Base-Backbone interact. energy: 1.409
local terms energy: -86.579334
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -10.642
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: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -105.032365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032365 (E_RNA)
where:
Base-Base interactions energy: -40.058
where: short stacking energy: -35.933
Base-Backbone interact. energy: -0.440
local terms energy: -64.534346
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -8.450
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: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -105.406307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.406307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.406307 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -22.530
Base-Backbone interact. energy: 0.145
local terms energy: -73.876299
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -14.052
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: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -101.010787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.010787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.010787 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.601
local terms energy: -62.979971
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -93.608199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.608199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.608199 (E_RNA)
where:
Base-Base interactions energy: -25.767
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.651
local terms energy: -67.190407
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: 3.590
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: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -362.635557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.635557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.635557 (E_RNA)
where:
Base-Base interactions energy: -245.665
where: short stacking energy: -98.982
Base-Backbone interact. energy: -0.233
local terms energy: -116.737448
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -33.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -362.822361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.822361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.822361 (E_RNA)
where:
Base-Base interactions energy: -259.226
where: short stacking energy: -102.269
Base-Backbone interact. energy: 0.187
local terms energy: -103.782922
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -30.016
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: 59
Temperature: 1.000000
Total energy: -347.311295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.311295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.311295 (E_RNA)
where:
Base-Base interactions energy: -231.634
where: short stacking energy: -91.971
Base-Backbone interact. energy: -0.094
local terms energy: -115.583722
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -31.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -345.500612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.500612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.500612 (E_RNA)
where:
Base-Base interactions energy: -232.104
where: short stacking energy: -89.996
Base-Backbone interact. energy: -0.002
local terms energy: -113.394675
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -278.274527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.274527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.274527 (E_RNA)
where:
Base-Base interactions energy: -179.605
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.447
local terms energy: -98.222196
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -187.762186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.762186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.762186 (E_RNA)
where:
Base-Base interactions energy: -119.257
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.261
local terms energy: -68.244590
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -109.585550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.585550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.585550 (E_RNA)
where:
Base-Base interactions energy: -47.055
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.066
local terms energy: -62.464612
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -117.845195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.845195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.845195 (E_RNA)
where:
Base-Base interactions energy: -54.238
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.706
local terms energy: -62.900947
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -101.654730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.654730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.654730 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.480
local terms energy: -71.274060
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -96.660299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.660299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.660299 (E_RNA)
where:
Base-Base interactions energy: -41.282
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.285
local terms energy: -55.093518
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -10.992
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: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -380.621411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.621411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.621411 (E_RNA)
where:
Base-Base interactions energy: -262.501
where: short stacking energy: -98.579
Base-Backbone interact. energy: -0.003
local terms energy: -118.117302
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -364.329314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.329314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.329314 (E_RNA)
where:
Base-Base interactions energy: -241.573
where: short stacking energy: -100.435
Base-Backbone interact. energy: -0.002
local terms energy: -122.754561
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -34.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -336.931218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.931218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.931218 (E_RNA)
where:
Base-Base interactions energy: -223.942
where: short stacking energy: -83.136
Base-Backbone interact. energy: -0.011
local terms energy: -112.977763
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -320.015894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.015894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.015894 (E_RNA)
where:
Base-Base interactions energy: -222.628
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.438
local terms energy: -96.949571
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -28.924
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -253.264543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.264543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.264543 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.007
local terms energy: -96.671205
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -27.437
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: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -214.155687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.155687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.155687 (E_RNA)
where:
Base-Base interactions energy: -128.271
where: short stacking energy: -53.958
Base-Backbone interact. energy: -1.720
local terms energy: -84.165203
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -13.414
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: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -115.289731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.289731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.289731 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -37.092
Base-Backbone interact. energy: 0.103
local terms energy: -78.301017
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -14.743
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: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -107.805292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.805292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.805292 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -19.025
Base-Backbone interact. energy: -0.627
local terms energy: -62.043489
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -16.037
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: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -114.418409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.418409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.418409 (E_RNA)
where:
Base-Base interactions energy: -49.910
where: short stacking energy: -24.495
Base-Backbone interact. energy: 0.110
local terms energy: -64.618306
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: 5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -108.935366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.935366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.935366 (E_RNA)
where:
Base-Base interactions energy: -46.055
where: short stacking energy: -27.815
Base-Backbone interact. energy: 0.227
local terms energy: -63.107052
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -361.932726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.932726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.932726 (E_RNA)
where:
Base-Base interactions energy: -241.864
where: short stacking energy: -95.402
Base-Backbone interact. energy: -0.041
local terms energy: -120.028137
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -33.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -351.787174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.787174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.787174 (E_RNA)
where:
Base-Base interactions energy: -235.614
where: short stacking energy: -97.008
Base-Backbone interact. energy: -0.005
local terms energy: -116.168429
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -32.145
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -346.399764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.399764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.399764 (E_RNA)
where:
Base-Base interactions energy: -233.298
where: short stacking energy: -96.738
Base-Backbone interact. energy: -1.350
local terms energy: -111.751855
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -31.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -341.591150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.591150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.591150 (E_RNA)
where:
Base-Base interactions energy: -238.033
where: short stacking energy: -96.955
Base-Backbone interact. energy: 0.049
local terms energy: -103.606601
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -31.496
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -257.392112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.392112 (E_RNA)
where:
Base-Base interactions energy: -160.467
where: short stacking energy: -65.485
Base-Backbone interact. energy: -1.063
local terms energy: -95.861873
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -198.938476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.938476 (E_RNA)
where:
Base-Base interactions energy: -105.639
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.559
local terms energy: -92.739978
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -23.936
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -117.215072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.215072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.215072 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -32.163
Base-Backbone interact. energy: -1.020
local terms energy: -76.574767
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -132.284702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.284702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.284702 (E_RNA)
where:
Base-Base interactions energy: -73.675
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.642
local terms energy: -57.967942
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -130.193811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.193811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.193811 (E_RNA)
where:
Base-Base interactions energy: -61.871
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.346
local terms energy: -67.976208
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: 0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -92.447135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.447135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.447135 (E_RNA)
where:
Base-Base interactions energy: -31.678
where: short stacking energy: -22.727
Base-Backbone interact. energy: -2.003
local terms energy: -58.766154
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -362.359435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.359435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.359435 (E_RNA)
where:
Base-Base interactions energy: -245.499
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.010
local terms energy: -116.849844
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -31.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -349.570030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.570030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.570030 (E_RNA)
where:
Base-Base interactions energy: -234.716
where: short stacking energy: -97.537
Base-Backbone interact. energy: -0.027
local terms energy: -114.827222
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -34.002
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -342.439553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.439553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.439553 (E_RNA)
where:
Base-Base interactions energy: -231.338
where: short stacking energy: -98.465
Base-Backbone interact. energy: -0.084
local terms energy: -111.017764
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -31.653
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: 62
Temperature: 1.050000
Total energy: -352.298082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.298082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.298082 (E_RNA)
where:
Base-Base interactions energy: -247.812
where: short stacking energy: -104.153
Base-Backbone interact. energy: -0.264
local terms energy: -104.221608
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -290.874437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.874437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.874437 (E_RNA)
where:
Base-Base interactions energy: -186.431
where: short stacking energy: -80.698
Base-Backbone interact. energy: -0.277
local terms energy: -104.166665
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -27.187
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: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -167.409144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.409144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.409144 (E_RNA)
where:
Base-Base interactions energy: -82.466
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.160
local terms energy: -84.782574
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -142.323637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.323637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.323637 (E_RNA)
where:
Base-Base interactions energy: -64.468
where: short stacking energy: -43.040
Base-Backbone interact. energy: 0.391
local terms energy: -78.247257
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -11.342
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -127.417043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.417043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.417043 (E_RNA)
where:
Base-Base interactions energy: -59.361
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.073
local terms energy: -67.983429
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -97.006727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.006727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.006727 (E_RNA)
where:
Base-Base interactions energy: -48.474
where: short stacking energy: -22.637
Base-Backbone interact. energy: 0.341
local terms energy: -48.874241
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -15.030
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: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -100.705089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.705089 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -36.622
Base-Backbone interact. energy: -0.380
local terms energy: -62.364126
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -14.195
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: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -362.770068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.770068 (E_RNA)
where:
Base-Base interactions energy: -244.355
where: short stacking energy: -101.485
Base-Backbone interact. energy: -0.122
local terms energy: -118.293022
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -34.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -352.319311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.319311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.319311 (E_RNA)
where:
Base-Base interactions energy: -241.872
where: short stacking energy: -99.908
Base-Backbone interact. energy: 0.606
local terms energy: -111.053213
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -33.161
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: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -344.744658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.744658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.744658 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -94.200
Base-Backbone interact. energy: -0.027
local terms energy: -115.500696
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -31.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -345.203922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.203922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.203922 (E_RNA)
where:
Base-Base interactions energy: -238.845
where: short stacking energy: -93.800
Base-Backbone interact. energy: -0.010
local terms energy: -106.348463
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -27.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -283.235680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.235680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.235680 (E_RNA)
where:
Base-Base interactions energy: -185.936
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.198
local terms energy: -97.101860
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -183.835508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835508 (E_RNA)
where:
Base-Base interactions energy: -95.030
where: short stacking energy: -46.109
Base-Backbone interact. energy: -0.089
local terms energy: -88.717038
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -115.333991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.333991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.333991 (E_RNA)
where:
Base-Base interactions energy: -58.018
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.517
local terms energy: -56.799114
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -118.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.938099 (E_RNA)
where:
Base-Base interactions energy: -51.876
where: short stacking energy: -28.850
Base-Backbone interact. energy: -1.742
local terms energy: -65.320042
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -99.750987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.750987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.750987 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -21.939
Base-Backbone interact. energy: -0.551
local terms energy: -57.485617
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: 7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -91.823054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823054 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.322
local terms energy: -65.853730
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -8.036
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: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -355.519426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.519426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.519426 (E_RNA)
where:
Base-Base interactions energy: -243.745
where: short stacking energy: -98.552
Base-Backbone interact. energy: -0.162
local terms energy: -111.612923
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -28.107
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: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -354.156262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.156262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.156262 (E_RNA)
where:
Base-Base interactions energy: -237.848
where: short stacking energy: -93.137
Base-Backbone interact. energy: -0.018
local terms energy: -116.290283
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -31.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -349.904151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.904151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.904151 (E_RNA)
where:
Base-Base interactions energy: -233.674
where: short stacking energy: -92.517
Base-Backbone interact. energy: -0.084
local terms energy: -116.145392
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -29.689
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: 64
Temperature: 1.050000
Total energy: -324.499287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.499287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.499287 (E_RNA)
where:
Base-Base interactions energy: -218.118
where: short stacking energy: -89.050
Base-Backbone interact. energy: -0.040
local terms energy: -106.340958
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -25.878
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -286.136472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.136472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.136472 (E_RNA)
where:
Base-Base interactions energy: -177.910
where: short stacking energy: -83.285
Base-Backbone interact. energy: -0.082
local terms energy: -108.144537
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -26.707
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: 64
Temperature: 1.150000
Total energy: -171.396776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.396776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.396776 (E_RNA)
where:
Base-Base interactions energy: -94.663
where: short stacking energy: -43.049
Base-Backbone interact. energy: -1.184
local terms energy: -75.549533
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -13.789
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: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -116.904368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.904368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.904368 (E_RNA)
where:
Base-Base interactions energy: -50.293
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.744
local terms energy: -65.866882
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -12.704
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -110.963501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.963501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.963501 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.077
local terms energy: -71.236409
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.301
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -116.272133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.272133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.272133 (E_RNA)
where:
Base-Base interactions energy: -51.116
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.081
local terms energy: -65.075113
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: 1.218
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: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -104.365678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365678 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -31.342
Base-Backbone interact. energy: -0.298
local terms energy: -65.979742
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -352.543263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.543263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.543263 (E_RNA)
where:
Base-Base interactions energy: -243.378
where: short stacking energy: -94.514
Base-Backbone interact. energy: -0.002
local terms energy: -109.163238
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -346.244004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.244004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.244004 (E_RNA)
where:
Base-Base interactions energy: -241.117
where: short stacking energy: -93.939
Base-Backbone interact. energy: -1.192
local terms energy: -103.934176
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -357.275876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.275876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.275876 (E_RNA)
where:
Base-Base interactions energy: -240.615
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.038
local terms energy: -116.623805
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -266.428300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.428300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.428300 (E_RNA)
where:
Base-Base interactions energy: -169.164
where: short stacking energy: -80.042
Base-Backbone interact. energy: 0.805
local terms energy: -98.068712
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -319.050300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.050300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.050300 (E_RNA)
where:
Base-Base interactions energy: -214.566
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.159
local terms energy: -104.325178
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -131.704300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.704300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.704300 (E_RNA)
where:
Base-Base interactions energy: -54.537
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.240
local terms energy: -76.927144
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -173.977357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.977357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977357 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -43.081
Base-Backbone interact. energy: -0.096
local terms energy: -74.911328
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -162.586692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.586692 (E_RNA)
where:
Base-Base interactions energy: -85.393
where: short stacking energy: -37.070
Base-Backbone interact. energy: 1.427
local terms energy: -78.621188
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -8.354
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -96.128468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128468 (E_RNA)
where:
Base-Base interactions energy: -24.229
where: short stacking energy: -14.930
Base-Backbone interact. energy: -0.280
local terms energy: -71.619642
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.721
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: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -107.351328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.351328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.351328 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.011
local terms energy: -71.844684
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -10.594
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: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -359.458080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.458080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.458080 (E_RNA)
where:
Base-Base interactions energy: -244.180
where: short stacking energy: -103.194
Base-Backbone interact. energy: -0.239
local terms energy: -115.038955
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -29.706
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -349.446053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.446053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.446053 (E_RNA)
where:
Base-Base interactions energy: -226.991
where: short stacking energy: -88.137
Base-Backbone interact. energy: -0.248
local terms energy: -122.207002
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -30.690
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: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -352.182943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.182943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.182943 (E_RNA)
where:
Base-Base interactions energy: -246.478
where: short stacking energy: -96.391
Base-Backbone interact. energy: -0.018
local terms energy: -105.687382
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -29.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -260.195749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.195749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.195749 (E_RNA)
where:
Base-Base interactions energy: -170.347
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.184
local terms energy: -89.664891
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -20.493
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: 66
Temperature: 1.100000
Total energy: -330.567271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.567271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.567271 (E_RNA)
where:
Base-Base interactions energy: -228.298
where: short stacking energy: -88.498
Base-Backbone interact. energy: -0.084
local terms energy: -102.184859
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -28.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -136.601999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.601999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.601999 (E_RNA)
where:
Base-Base interactions energy: -60.733
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.156
local terms energy: -75.712869
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -10.399
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: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -213.178724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.178724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.178724 (E_RNA)
where:
Base-Base interactions energy: -132.103
where: short stacking energy: -45.490
Base-Backbone interact. energy: -0.213
local terms energy: -80.862471
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -15.632
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: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -150.504656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.504656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.504656 (E_RNA)
where:
Base-Base interactions energy: -80.022
where: short stacking energy: -39.931
Base-Backbone interact. energy: -0.141
local terms energy: -70.341315
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -100.867827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.867827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.867827 (E_RNA)
where:
Base-Base interactions energy: -48.716
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.182
local terms energy: -51.969294
where:
bonds (distance) C4'-P energy: -8.073
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.498
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: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -95.641992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.641992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.641992 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.181
local terms energy: -55.778216
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -1.600
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: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -363.322873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.322873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.322873 (E_RNA)
where:
Base-Base interactions energy: -247.324
where: short stacking energy: -102.829
Base-Backbone interact. energy: -0.010
local terms energy: -115.988784
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -31.893
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: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -360.799396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.799396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.799396 (E_RNA)
where:
Base-Base interactions energy: -245.383
where: short stacking energy: -105.923
Base-Backbone interact. energy: -1.899
local terms energy: -113.516711
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -352.695950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.695950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.695950 (E_RNA)
where:
Base-Base interactions energy: -236.450
where: short stacking energy: -94.094
Base-Backbone interact. energy: -0.092
local terms energy: -116.153844
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -33.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -343.949998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.949998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.949998 (E_RNA)
where:
Base-Base interactions energy: -234.252
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.016
local terms energy: -109.681721
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -264.714735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.714735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.714735 (E_RNA)
where:
Base-Base interactions energy: -168.276
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.682
local terms energy: -95.757018
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -233.947401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.947401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.947401 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -69.225
Base-Backbone interact. energy: 0.735
local terms energy: -91.506665
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -17.365
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: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -124.911285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.911285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.911285 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.273
local terms energy: -80.269856
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -113.707873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.707873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.707873 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -29.743
Base-Backbone interact. energy: -0.126
local terms energy: -69.260636
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -99.573416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.573416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.573416 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.184
local terms energy: -66.970373
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -95.708546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708546 (E_RNA)
where:
Base-Base interactions energy: -24.306
where: short stacking energy: -20.810
Base-Backbone interact. energy: -0.148
local terms energy: -71.254212
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -366.064467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.064467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.064467 (E_RNA)
where:
Base-Base interactions energy: -240.845
where: short stacking energy: -98.037
Base-Backbone interact. energy: -0.014
local terms energy: -125.205781
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -33.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -363.006909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.006909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.006909 (E_RNA)
where:
Base-Base interactions energy: -253.046
where: short stacking energy: -107.579
Base-Backbone interact. energy: -0.844
local terms energy: -109.116659
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -32.744
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -349.478979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.478979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.478979 (E_RNA)
where:
Base-Base interactions energy: -232.124
where: short stacking energy: -92.681
Base-Backbone interact. energy: -0.012
local terms energy: -117.343521
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -33.569
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: 68
Temperature: 1.050000
Total energy: -343.838462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.838462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.838462 (E_RNA)
where:
Base-Base interactions energy: -230.913
where: short stacking energy: -95.220
Base-Backbone interact. energy: 0.325
local terms energy: -113.250532
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -33.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -279.039543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.039543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.039543 (E_RNA)
where:
Base-Base interactions energy: -180.390
where: short stacking energy: -74.445
Base-Backbone interact. energy: -0.031
local terms energy: -98.618519
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -24.517
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: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -219.564602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.564602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.564602 (E_RNA)
where:
Base-Base interactions energy: -134.049
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.395
local terms energy: -85.120263
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -135.369874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.369874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.369874 (E_RNA)
where:
Base-Base interactions energy: -65.004
where: short stacking energy: -31.048
Base-Backbone interact. energy: 1.306
local terms energy: -71.672165
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -14.482
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: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -112.603652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.603652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.603652 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -25.050
Base-Backbone interact. energy: -1.088
local terms energy: -71.747442
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -10.531
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: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -94.435703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.435703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.435703 (E_RNA)
where:
Base-Base interactions energy: -27.296
where: short stacking energy: -22.357
Base-Backbone interact. energy: -0.047
local terms energy: -67.092312
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -9.061
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: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -98.153246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.153246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.153246 (E_RNA)
where:
Base-Base interactions energy: -39.397
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.298
local terms energy: -58.458673
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -367.776425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.776425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.776425 (E_RNA)
where:
Base-Base interactions energy: -259.532
where: short stacking energy: -105.984
Base-Backbone interact. energy: -0.003
local terms energy: -108.241902
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -34.240
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -366.991941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.991941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.991941 (E_RNA)
where:
Base-Base interactions energy: -249.488
where: short stacking energy: -102.488
Base-Backbone interact. energy: -0.005
local terms energy: -117.498955
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -359.125998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.125998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.125998 (E_RNA)
where:
Base-Base interactions energy: -245.313
where: short stacking energy: -100.055
Base-Backbone interact. energy: -0.036
local terms energy: -113.776735
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -31.178
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: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -334.463700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.463700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.463700 (E_RNA)
where:
Base-Base interactions energy: -228.034
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.003
local terms energy: -106.427375
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -28.227
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: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -252.004553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.004553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.004553 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.858
local terms energy: -90.349444
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -208.182669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.182669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.182669 (E_RNA)
where:
Base-Base interactions energy: -134.135
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.591
local terms energy: -73.456695
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -156.758574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.758574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.758574 (E_RNA)
where:
Base-Base interactions energy: -83.729
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.284
local terms energy: -72.745352
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -151.345745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.345745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.345745 (E_RNA)
where:
Base-Base interactions energy: -86.372
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.155
local terms energy: -64.818978
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -104.743536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.743536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.743536 (E_RNA)
where:
Base-Base interactions energy: -40.666
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.080
local terms energy: -63.997762
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -6.891
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: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -103.075113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.075113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.075113 (E_RNA)
where:
Base-Base interactions energy: -27.468
where: short stacking energy: -27.424
Base-Backbone interact. energy: 0.501
local terms energy: -76.107487
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -359.970300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.970300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.970300 (E_RNA)
where:
Base-Base interactions energy: -241.799
where: short stacking energy: -102.750
Base-Backbone interact. energy: -0.087
local terms energy: -118.084221
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -348.180301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.180301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.180301 (E_RNA)
where:
Base-Base interactions energy: -231.656
where: short stacking energy: -82.632
Base-Backbone interact. energy: -0.360
local terms energy: -116.163905
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -28.157
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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -348.439052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.439052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.439052 (E_RNA)
where:
Base-Base interactions energy: -234.613
where: short stacking energy: -100.313
Base-Backbone interact. energy: -0.868
local terms energy: -112.958120
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -33.759
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -337.643065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.643065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.643065 (E_RNA)
where:
Base-Base interactions energy: -227.788
where: short stacking energy: -90.725
Base-Backbone interact. energy: -0.058
local terms energy: -109.797174
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -259.506402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.506402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.506402 (E_RNA)
where:
Base-Base interactions energy: -157.816
where: short stacking energy: -72.847
Base-Backbone interact. energy: -0.709
local terms energy: -100.981212
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -22.895
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -229.118630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.118630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.118630 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.255
local terms energy: -88.786149
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -15.195
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -123.871346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.871346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.871346 (E_RNA)
where:
Base-Base interactions energy: -68.873
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.338
local terms energy: -54.660563
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -158.838656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.838656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.838656 (E_RNA)
where:
Base-Base interactions energy: -98.904
where: short stacking energy: -36.096
Base-Backbone interact. energy: -0.735
local terms energy: -59.198940
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -98.615872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.615872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.615872 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.287
local terms energy: -65.927568
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.088
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: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -110.236985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.236985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.236985 (E_RNA)
where:
Base-Base interactions energy: -49.945
where: short stacking energy: -43.327
Base-Backbone interact. energy: -0.371
local terms energy: -59.921277
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -1.338
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: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -362.593326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.593326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.593326 (E_RNA)
where:
Base-Base interactions energy: -249.070
where: short stacking energy: -101.214
Base-Backbone interact. energy: -1.531
local terms energy: -111.992907
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -353.031691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.031691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.031691 (E_RNA)
where:
Base-Base interactions energy: -248.379
where: short stacking energy: -97.858
Base-Backbone interact. energy: -0.003
local terms energy: -104.649520
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -34.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -350.286412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.286412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.286412 (E_RNA)
where:
Base-Base interactions energy: -237.544
where: short stacking energy: -96.952
Base-Backbone interact. energy: -0.038
local terms energy: -112.704523
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -30.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -347.683671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.683671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.683671 (E_RNA)
where:
Base-Base interactions energy: -233.991
where: short stacking energy: -95.431
Base-Backbone interact. energy: -0.008
local terms energy: -113.684113
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -241.580949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.580949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.580949 (E_RNA)
where:
Base-Base interactions energy: -138.758
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.013
local terms energy: -102.809724
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -27.351
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: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -164.406479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.406479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406479 (E_RNA)
where:
Base-Base interactions energy: -94.207
where: short stacking energy: -37.532
Base-Backbone interact. energy: 0.053
local terms energy: -70.252265
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -136.335884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.335884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.335884 (E_RNA)
where:
Base-Base interactions energy: -57.586
where: short stacking energy: -41.970
Base-Backbone interact. energy: -0.299
local terms energy: -78.450179
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -108.875787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.875787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.875787 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -30.821
Base-Backbone interact. energy: 0.229
local terms energy: -70.660114
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -115.212626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.212626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.212626 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.417
local terms energy: -72.020857
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -7.644
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: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -94.818060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.818060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.818060 (E_RNA)
where:
Base-Base interactions energy: -31.332
where: short stacking energy: -31.027
Base-Backbone interact. energy: 0.615
local terms energy: -64.100751
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -356.943874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.943874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.943874 (E_RNA)
where:
Base-Base interactions energy: -245.918
where: short stacking energy: -95.355
Base-Backbone interact. energy: 0.726
local terms energy: -111.752235
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -30.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -357.812805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.812805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.812805 (E_RNA)
where:
Base-Base interactions energy: -236.332
where: short stacking energy: -90.916
Base-Backbone interact. energy: -0.144
local terms energy: -121.336213
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -34.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -353.909601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.909601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.909601 (E_RNA)
where:
Base-Base interactions energy: -246.484
where: short stacking energy: -99.821
Base-Backbone interact. energy: -0.065
local terms energy: -107.360466
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -32.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -332.602733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.602733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.602733 (E_RNA)
where:
Base-Base interactions energy: -227.804
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.007
local terms energy: -104.791335
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -237.532528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.532528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.532528 (E_RNA)
where:
Base-Base interactions energy: -144.236
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.122
local terms energy: -93.174514
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -149.093801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.093801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.093801 (E_RNA)
where:
Base-Base interactions energy: -65.330
where: short stacking energy: -44.441
Base-Backbone interact. energy: -0.146
local terms energy: -83.617977
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -15.208
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -161.572348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.572348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.572348 (E_RNA)
where:
Base-Base interactions energy: -94.571
where: short stacking energy: -44.814
Base-Backbone interact. energy: -0.632
local terms energy: -66.369412
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.885
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: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -120.308579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.308579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.308579 (E_RNA)
where:
Base-Base interactions energy: -58.300
where: short stacking energy: -20.606
Base-Backbone interact. energy: -1.519
local terms energy: -60.489463
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.947
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: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -120.275760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.275760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.275760 (E_RNA)
where:
Base-Base interactions energy: -50.355
where: short stacking energy: -36.355
Base-Backbone interact. energy: -1.304
local terms energy: -68.616529
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -1.056
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: 72
Temperature: 1.350000
Total energy: -110.841420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.841420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.841420 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.205
local terms energy: -60.307328
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -352.916423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.916423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.916423 (E_RNA)
where:
Base-Base interactions energy: -235.226
where: short stacking energy: -96.650
Base-Backbone interact. energy: -0.079
local terms energy: -117.612145
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -29.285
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -357.547752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.547752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.547752 (E_RNA)
where:
Base-Base interactions energy: -247.172
where: short stacking energy: -105.193
Base-Backbone interact. energy: -0.097
local terms energy: -110.278810
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -32.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -361.171293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.171293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.171293 (E_RNA)
where:
Base-Base interactions energy: -247.200
where: short stacking energy: -101.572
Base-Backbone interact. energy: -0.049
local terms energy: -113.921674
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -36.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -347.428778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.428778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.428778 (E_RNA)
where:
Base-Base interactions energy: -239.408
where: short stacking energy: -99.875
Base-Backbone interact. energy: -0.110
local terms energy: -107.910737
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -32.025
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: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -278.485450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.485450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485450 (E_RNA)
where:
Base-Base interactions energy: -184.885
where: short stacking energy: -69.629
Base-Backbone interact. energy: 1.181
local terms energy: -94.781605
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -179.179891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.179891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.179891 (E_RNA)
where:
Base-Base interactions energy: -104.014
where: short stacking energy: -46.150
Base-Backbone interact. energy: 1.192
local terms energy: -76.357511
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -150.782374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.782374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.782374 (E_RNA)
where:
Base-Base interactions energy: -84.707
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.501
local terms energy: -65.574264
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -113.935979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.935979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.935979 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.321
local terms energy: -78.377141
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -11.426
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: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -113.476596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.476596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.476596 (E_RNA)
where:
Base-Base interactions energy: -42.571
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.263
local terms energy: -70.643238
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -7.394
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: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -105.371464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.371464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.371464 (E_RNA)
where:
Base-Base interactions energy: -46.068
where: short stacking energy: -22.014
Base-Backbone interact. energy: 0.042
local terms energy: -59.345681
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -366.182863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.182863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.182863 (E_RNA)
where:
Base-Base interactions energy: -246.230
where: short stacking energy: -107.738
Base-Backbone interact. energy: -0.002
local terms energy: -119.950551
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -354.893095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.893095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.893095 (E_RNA)
where:
Base-Base interactions energy: -242.272
where: short stacking energy: -97.966
Base-Backbone interact. energy: -0.306
local terms energy: -112.314568
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -34.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -355.617542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.617542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.617542 (E_RNA)
where:
Base-Base interactions energy: -238.627
where: short stacking energy: -96.192
Base-Backbone interact. energy: 0.854
local terms energy: -117.844516
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -32.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -334.823884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.823884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.823884 (E_RNA)
where:
Base-Base interactions energy: -220.771
where: short stacking energy: -87.521
Base-Backbone interact. energy: -0.661
local terms energy: -113.392329
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -32.619
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: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -279.071663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.071663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.071663 (E_RNA)
where:
Base-Base interactions energy: -175.153
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.885
local terms energy: -103.033464
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -26.252
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: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -207.491432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.491432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.491432 (E_RNA)
where:
Base-Base interactions energy: -120.123
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.649
local terms energy: -86.719266
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -12.668
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: 74
Temperature: 1.200000
Total energy: -105.318962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.318962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.318962 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -26.375
Base-Backbone interact. energy: 5.606
local terms energy: -73.275263
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -11.551
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: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -148.978231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.978231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.978231 (E_RNA)
where:
Base-Base interactions energy: -74.178
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.676
local terms energy: -74.124167
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.506
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -126.714774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.714774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.714774 (E_RNA)
where:
Base-Base interactions energy: -56.992
where: short stacking energy: -36.232
Base-Backbone interact. energy: 0.497
local terms energy: -70.219798
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -6.327
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: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -102.006952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.006952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.006952 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.074
local terms energy: -68.943195
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.200
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: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -357.385999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.385999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.385999 (E_RNA)
where:
Base-Base interactions energy: -238.714
where: short stacking energy: -93.308
Base-Backbone interact. energy: -0.006
local terms energy: -118.666125
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -34.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -355.687937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.687937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.687937 (E_RNA)
where:
Base-Base interactions energy: -238.474
where: short stacking energy: -98.782
Base-Backbone interact. energy: -0.002
local terms energy: -117.211877
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -34.018
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: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -354.866813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.866813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.866813 (E_RNA)
where:
Base-Base interactions energy: -241.218
where: short stacking energy: -96.826
Base-Backbone interact. energy: -0.049
local terms energy: -113.599872
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -33.392
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -338.901564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.901564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.901564 (E_RNA)
where:
Base-Base interactions energy: -233.841
where: short stacking energy: -91.656
Base-Backbone interact. energy: -0.060
local terms energy: -105.000257
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -34.207
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: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -278.456928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.456928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.456928 (E_RNA)
where:
Base-Base interactions energy: -191.404
where: short stacking energy: -85.924
Base-Backbone interact. energy: -0.260
local terms energy: -86.793690
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -24.224
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: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -197.990503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.990503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.990503 (E_RNA)
where:
Base-Base interactions energy: -118.478
where: short stacking energy: -43.675
Base-Backbone interact. energy: -0.014
local terms energy: -79.498571
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -114.552750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.552750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.552750 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.407
local terms energy: -70.949058
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -9.541
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -107.023489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.023489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.023489 (E_RNA)
where:
Base-Base interactions energy: -52.938
where: short stacking energy: -18.943
Base-Backbone interact. energy: -0.202
local terms energy: -53.883718
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -140.443534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.443534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.443534 (E_RNA)
where:
Base-Base interactions energy: -79.384
where: short stacking energy: -37.783
Base-Backbone interact. energy: -0.474
local terms energy: -60.586019
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: 8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -103.029492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.029492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.029492 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -17.179
Base-Backbone interact. energy: 2.236
local terms energy: -70.503377
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -1.208
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: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -367.479431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.479431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.479431 (E_RNA)
where:
Base-Base interactions energy: -257.693
where: short stacking energy: -111.357
Base-Backbone interact. energy: -0.006
local terms energy: -109.780009
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -30.747
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -357.896780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.896780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.896780 (E_RNA)
where:
Base-Base interactions energy: -242.975
where: short stacking energy: -97.068
Base-Backbone interact. energy: -0.302
local terms energy: -114.620462
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -345.865898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.865898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.865898 (E_RNA)
where:
Base-Base interactions energy: -233.971
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.009
local terms energy: -111.885983
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -352.743968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.743968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.743968 (E_RNA)
where:
Base-Base interactions energy: -234.017
where: short stacking energy: -102.353
Base-Backbone interact. energy: -0.033
local terms energy: -118.693765
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -203.050689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.050689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.050689 (E_RNA)
where:
Base-Base interactions energy: -112.510
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.467
local terms energy: -90.073625
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -269.337958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.337958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.337958 (E_RNA)
where:
Base-Base interactions energy: -173.707
where: short stacking energy: -80.148
Base-Backbone interact. energy: -0.323
local terms energy: -95.308248
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -117.903473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.903473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.903473 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -42.303
Base-Backbone interact. energy: -0.666
local terms energy: -71.136778
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -112.583136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.583136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.583136 (E_RNA)
where:
Base-Base interactions energy: -46.723
where: short stacking energy: -29.174
Base-Backbone interact. energy: 0.721
local terms energy: -66.580198
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -15.919
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: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -97.789398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.789398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.789398 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.385
local terms energy: -67.175231
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -109.389262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.389262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.389262 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -22.116
Base-Backbone interact. energy: 0.155
local terms energy: -67.851238
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.751
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: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -371.930403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.930403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.930403 (E_RNA)
where:
Base-Base interactions energy: -246.333
where: short stacking energy: -101.710
Base-Backbone interact. energy: -0.020
local terms energy: -125.576984
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -362.419830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.419830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.419830 (E_RNA)
where:
Base-Base interactions energy: -240.200
where: short stacking energy: -101.791
Base-Backbone interact. energy: -0.044
local terms energy: -122.175959
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -349.414019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.414019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.414019 (E_RNA)
where:
Base-Base interactions energy: -235.452
where: short stacking energy: -95.412
Base-Backbone interact. energy: -0.173
local terms energy: -113.789795
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -32.453
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: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -345.317753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.317753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.317753 (E_RNA)
where:
Base-Base interactions energy: -234.582
where: short stacking energy: -96.107
Base-Backbone interact. energy: -0.258
local terms energy: -110.478066
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -30.577
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: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -188.841877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.841877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.841877 (E_RNA)
where:
Base-Base interactions energy: -101.302
where: short stacking energy: -42.364
Base-Backbone interact. energy: -0.254
local terms energy: -87.286224
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -274.440457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.440457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.440457 (E_RNA)
where:
Base-Base interactions energy: -174.554
where: short stacking energy: -86.068
Base-Backbone interact. energy: -0.283
local terms energy: -99.602932
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -129.124285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.124285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.124285 (E_RNA)
where:
Base-Base interactions energy: -66.743
where: short stacking energy: -24.356
Base-Backbone interact. energy: -1.201
local terms energy: -61.179493
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -102.418646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.418646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.418646 (E_RNA)
where:
Base-Base interactions energy: -26.213
where: short stacking energy: -23.062
Base-Backbone interact. energy: -0.405
local terms energy: -75.801223
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -109.789812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.789812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.789812 (E_RNA)
where:
Base-Base interactions energy: -52.044
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.084
local terms energy: -57.662083
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -4.813
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -4.782
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: 77
Temperature: 1.350000
Total energy: -114.774124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.774124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.774124 (E_RNA)
where:
Base-Base interactions energy: -48.187
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.121
local terms energy: -66.466772
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -366.614295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.614295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.614295 (E_RNA)
where:
Base-Base interactions energy: -244.624
where: short stacking energy: -102.189
Base-Backbone interact. energy: -0.002
local terms energy: -121.988480
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -33.426
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: 78
Temperature: 0.950000
Total energy: -357.602932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.602932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.602932 (E_RNA)
where:
Base-Base interactions energy: -237.729
where: short stacking energy: -100.505
Base-Backbone interact. energy: -0.145
local terms energy: -119.728925
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -353.965610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.965610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.965610 (E_RNA)
where:
Base-Base interactions energy: -240.797
where: short stacking energy: -97.221
Base-Backbone interact. energy: -0.596
local terms energy: -112.572816
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -32.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -349.728226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.728226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.728226 (E_RNA)
where:
Base-Base interactions energy: -237.795
where: short stacking energy: -94.574
Base-Backbone interact. energy: 0.081
local terms energy: -112.014757
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -30.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -250.411014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.411014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.411014 (E_RNA)
where:
Base-Base interactions energy: -154.426
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.960
local terms energy: -95.024918
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -22.964
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: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -201.108213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.108213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.108213 (E_RNA)
where:
Base-Base interactions energy: -119.004
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.162
local terms energy: -81.941567
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -130.231780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.231780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.231780 (E_RNA)
where:
Base-Base interactions energy: -65.597
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.459
local terms energy: -64.175324
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -110.515925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.515925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.515925 (E_RNA)
where:
Base-Base interactions energy: -50.972
where: short stacking energy: -28.134
Base-Backbone interact. energy: -0.478
local terms energy: -59.065563
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -6.757
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: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -102.482541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.482541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.482541 (E_RNA)
where:
Base-Base interactions energy: -28.256
where: short stacking energy: -31.531
Base-Backbone interact. energy: -0.923
local terms energy: -73.303532
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -96.562694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.562694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.562694 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.129
local terms energy: -64.919978
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -362.273372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.273372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.273372 (E_RNA)
where:
Base-Base interactions energy: -249.990
where: short stacking energy: -95.336
Base-Backbone interact. energy: -0.004
local terms energy: -112.278692
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -32.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -360.228263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.228263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.228263 (E_RNA)
where:
Base-Base interactions energy: -243.848
where: short stacking energy: -98.135
Base-Backbone interact. energy: -0.005
local terms energy: -116.375772
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -29.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -351.819325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.819325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.819325 (E_RNA)
where:
Base-Base interactions energy: -238.565
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.007
local terms energy: -113.247337
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -30.369
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: 79
Temperature: 1.050000
Total energy: -335.071574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.071574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.071574 (E_RNA)
where:
Base-Base interactions energy: -229.684
where: short stacking energy: -91.672
Base-Backbone interact. energy: -0.003
local terms energy: -105.385298
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -263.450239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.450239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.450239 (E_RNA)
where:
Base-Base interactions energy: -158.009
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.678
local terms energy: -104.763299
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -25.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -197.063276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.063276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.063276 (E_RNA)
where:
Base-Base interactions energy: -112.686
where: short stacking energy: -48.109
Base-Backbone interact. energy: -0.944
local terms energy: -83.434110
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -131.168593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.168593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.168593 (E_RNA)
where:
Base-Base interactions energy: -64.168
where: short stacking energy: -28.573
Base-Backbone interact. energy: 0.109
local terms energy: -67.109055
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -101.312087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.312087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.312087 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -33.939
Base-Backbone interact. energy: -0.221
local terms energy: -65.665782
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -8.182
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: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -123.230534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.230534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.230534 (E_RNA)
where:
Base-Base interactions energy: -61.845
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.320
local terms energy: -61.065889
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -93.289087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289087 (E_RNA)
where:
Base-Base interactions energy: -24.866
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.249
local terms energy: -68.174753
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -2.111
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: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -366.890876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.890876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.890876 (E_RNA)
where:
Base-Base interactions energy: -251.534
where: short stacking energy: -108.220
Base-Backbone interact. energy: -0.001
local terms energy: -115.355968
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -35.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -356.171577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.171577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.171577 (E_RNA)
where:
Base-Base interactions energy: -243.129
where: short stacking energy: -100.733
Base-Backbone interact. energy: -0.696
local terms energy: -112.346370
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -32.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -352.849673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.849673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.849673 (E_RNA)
where:
Base-Base interactions energy: -241.791
where: short stacking energy: -99.487
Base-Backbone interact. energy: -0.005
local terms energy: -111.053431
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -35.315
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: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -345.872698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.872698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.872698 (E_RNA)
where:
Base-Base interactions energy: -242.058
where: short stacking energy: -96.382
Base-Backbone interact. energy: 1.275
local terms energy: -105.089795
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -30.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -264.029043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.029043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.029043 (E_RNA)
where:
Base-Base interactions energy: -164.693
where: short stacking energy: -77.082
Base-Backbone interact. energy: -0.797
local terms energy: -98.538857
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -28.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -167.997700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.997700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.997700 (E_RNA)
where:
Base-Base interactions energy: -84.908
where: short stacking energy: -51.636
Base-Backbone interact. energy: 0.034
local terms energy: -83.123441
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -12.099
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: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -126.924971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.924971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.924971 (E_RNA)
where:
Base-Base interactions energy: -49.541
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.529
local terms energy: -76.854612
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -10.954
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -108.861245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.861245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.861245 (E_RNA)
where:
Base-Base interactions energy: -42.786
where: short stacking energy: -19.619
Base-Backbone interact. energy: -1.384
local terms energy: -64.691550
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -98.486905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.486905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.486905 (E_RNA)
where:
Base-Base interactions energy: -43.360
where: short stacking energy: -21.682
Base-Backbone interact. energy: 0.299
local terms energy: -55.425868
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -9.335
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: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -94.641887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641887 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -27.777
Base-Backbone interact. energy: 0.356
local terms energy: -64.141242
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.189
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: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -368.375919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.375919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.375919 (E_RNA)
where:
Base-Base interactions energy: -247.583
where: short stacking energy: -104.032
Base-Backbone interact. energy: -0.004
local terms energy: -120.789553
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -362.326149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.326149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.326149 (E_RNA)
where:
Base-Base interactions energy: -243.652
where: short stacking energy: -96.902
Base-Backbone interact. energy: -0.001
local terms energy: -118.673611
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -34.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -342.321994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.321994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.321994 (E_RNA)
where:
Base-Base interactions energy: -228.819
where: short stacking energy: -90.883
Base-Backbone interact. energy: -0.017
local terms energy: -113.486083
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -30.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -341.969248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.969248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.969248 (E_RNA)
where:
Base-Base interactions energy: -244.410
where: short stacking energy: -90.850
Base-Backbone interact. energy: -0.066
local terms energy: -97.492749
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -28.742
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: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -270.698509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.698509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.698509 (E_RNA)
where:
Base-Base interactions energy: -166.031
where: short stacking energy: -79.212
Base-Backbone interact. energy: 0.212
local terms energy: -104.879996
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -26.142
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: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -187.046771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.046771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.046771 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -51.382
Base-Backbone interact. energy: 0.206
local terms energy: -71.748347
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -8.627
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: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -127.297761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.297761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.297761 (E_RNA)
where:
Base-Base interactions energy: -47.085
where: short stacking energy: -37.666
Base-Backbone interact. energy: -0.301
local terms energy: -79.910829
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -110.778661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.778661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.778661 (E_RNA)
where:
Base-Base interactions energy: -31.967
where: short stacking energy: -31.227
Base-Backbone interact. energy: -0.269
local terms energy: -78.543515
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -101.056466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056466 (E_RNA)
where:
Base-Base interactions energy: -43.851
where: short stacking energy: -25.924
Base-Backbone interact. energy: -0.418
local terms energy: -56.787340
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -103.629063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.629063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.629063 (E_RNA)
where:
Base-Base interactions energy: -36.526
where: short stacking energy: -35.599
Base-Backbone interact. energy: -1.337
local terms energy: -65.765828
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -4.786
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: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -367.208713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.208713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.208713 (E_RNA)
where:
Base-Base interactions energy: -248.394
where: short stacking energy: -104.156
Base-Backbone interact. energy: -0.003
local terms energy: -118.812227
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -34.895
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: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -352.831167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.831167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.831167 (E_RNA)
where:
Base-Base interactions energy: -238.667
where: short stacking energy: -94.452
Base-Backbone interact. energy: -0.005
local terms energy: -114.159086
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -33.482
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -356.439504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.439504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.439504 (E_RNA)
where:
Base-Base interactions energy: -246.760
where: short stacking energy: -102.131
Base-Backbone interact. energy: -0.028
local terms energy: -109.652121
where:
bonds (distance) C4'-P energy: -22.548
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -31.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -356.946488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.946488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.946488 (E_RNA)
where:
Base-Base interactions energy: -243.979
where: short stacking energy: -104.292
Base-Backbone interact. energy: -0.001
local terms energy: -112.966116
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -282.035001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.035001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.035001 (E_RNA)
where:
Base-Base interactions energy: -189.245
where: short stacking energy: -75.316
Base-Backbone interact. energy: -0.127
local terms energy: -92.663088
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -27.531
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: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -177.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.839925 (E_RNA)
where:
Base-Base interactions energy: -99.076
where: short stacking energy: -38.977
Base-Backbone interact. energy: 0.005
local terms energy: -78.768935
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -10.281
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: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -130.968066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.968066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.968066 (E_RNA)
where:
Base-Base interactions energy: -57.517
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.778
local terms energy: -72.673473
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -6.053
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: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -126.108555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.108555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.108555 (E_RNA)
where:
Base-Base interactions energy: -47.108
where: short stacking energy: -34.176
Base-Backbone interact. energy: -0.424
local terms energy: -78.576666
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -15.921
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: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -102.145024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.145024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.145024 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -26.805
Base-Backbone interact. energy: 0.572
local terms energy: -63.600940
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -10.528
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -110.844658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.844658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.844658 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.285
local terms energy: -65.674750
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -360.759766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.759766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.759766 (E_RNA)
where:
Base-Base interactions energy: -247.928
where: short stacking energy: -106.443
Base-Backbone interact. energy: -0.672
local terms energy: -112.159860
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -354.938377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.938377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.938377 (E_RNA)
where:
Base-Base interactions energy: -243.290
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.023
local terms energy: -111.625451
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -30.583
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: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -357.245664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.245664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.245664 (E_RNA)
where:
Base-Base interactions energy: -240.032
where: short stacking energy: -101.473
Base-Backbone interact. energy: -0.009
local terms energy: -117.204657
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -342.596282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.596282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.596282 (E_RNA)
where:
Base-Base interactions energy: -228.331
where: short stacking energy: -90.052
Base-Backbone interact. energy: -0.756
local terms energy: -113.509840
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -32.655
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: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -282.027512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.027512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.027512 (E_RNA)
where:
Base-Base interactions energy: -174.180
where: short stacking energy: -79.146
Base-Backbone interact. energy: -0.218
local terms energy: -107.630197
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -26.778
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: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -198.234940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234940 (E_RNA)
where:
Base-Base interactions energy: -111.175
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.274
local terms energy: -86.785871
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -16.562
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: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -125.243962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.243962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.243962 (E_RNA)
where:
Base-Base interactions energy: -51.241
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.087
local terms energy: -73.916201
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -115.258502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.258502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.258502 (E_RNA)
where:
Base-Base interactions energy: -62.035
where: short stacking energy: -31.845
Base-Backbone interact. energy: 1.202
local terms energy: -54.426266
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.707
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: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -104.441785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.441785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.441785 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -21.243
Base-Backbone interact. energy: -1.145
local terms energy: -62.666231
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -124.668310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.668310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.668310 (E_RNA)
where:
Base-Base interactions energy: -59.476
where: short stacking energy: -31.819
Base-Backbone interact. energy: -0.864
local terms energy: -64.328469
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -364.827755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.827755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.827755 (E_RNA)
where:
Base-Base interactions energy: -247.934
where: short stacking energy: -97.667
Base-Backbone interact. energy: -0.079
local terms energy: -116.814906
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -32.140
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -351.041471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.041471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.041471 (E_RNA)
where:
Base-Base interactions energy: -234.143
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.108
local terms energy: -116.790463
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -353.941468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.941468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.941468 (E_RNA)
where:
Base-Base interactions energy: -244.055
where: short stacking energy: -97.127
Base-Backbone interact. energy: -0.143
local terms energy: -109.744148
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -35.336
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: 84
Temperature: 1.050000
Total energy: -331.081578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.081578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.081578 (E_RNA)
where:
Base-Base interactions energy: -229.472
where: short stacking energy: -93.213
Base-Backbone interact. energy: 0.034
local terms energy: -101.643981
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -28.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -265.535343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.535343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.535343 (E_RNA)
where:
Base-Base interactions energy: -175.072
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.168
local terms energy: -90.294727
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -203.756045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.756045 (E_RNA)
where:
Base-Base interactions energy: -118.313
where: short stacking energy: -42.390
Base-Backbone interact. energy: -0.265
local terms energy: -85.178667
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -118.434113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.434113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.434113 (E_RNA)
where:
Base-Base interactions energy: -52.441
where: short stacking energy: -39.053
Base-Backbone interact. energy: 0.295
local terms energy: -66.288189
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -127.281347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.281347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.281347 (E_RNA)
where:
Base-Base interactions energy: -50.990
where: short stacking energy: -25.061
Base-Backbone interact. energy: -2.265
local terms energy: -74.026345
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -102.855658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.855658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.855658 (E_RNA)
where:
Base-Base interactions energy: -32.036
where: short stacking energy: -23.488
Base-Backbone interact. energy: -0.179
local terms energy: -70.640379
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -14.026
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: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -98.351381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.351381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.351381 (E_RNA)
where:
Base-Base interactions energy: -41.927
where: short stacking energy: -25.619
Base-Backbone interact. energy: -0.494
local terms energy: -55.930212
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -364.428092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.428092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.428092 (E_RNA)
where:
Base-Base interactions energy: -246.688
where: short stacking energy: -104.113
Base-Backbone interact. energy: -0.062
local terms energy: -117.677821
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -35.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -357.573763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.573763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.573763 (E_RNA)
where:
Base-Base interactions energy: -244.733
where: short stacking energy: -103.707
Base-Backbone interact. energy: -0.079
local terms energy: -112.761747
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -31.473
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: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -340.859233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.859233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.859233 (E_RNA)
where:
Base-Base interactions energy: -227.136
where: short stacking energy: -92.616
Base-Backbone interact. energy: -0.259
local terms energy: -113.464415
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -31.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -338.059766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.059766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.059766 (E_RNA)
where:
Base-Base interactions energy: -229.155
where: short stacking energy: -89.455
Base-Backbone interact. energy: -0.002
local terms energy: -108.902883
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -29.402
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -282.538292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.538292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.538292 (E_RNA)
where:
Base-Base interactions energy: -184.524
where: short stacking energy: -80.652
Base-Backbone interact. energy: 0.245
local terms energy: -98.258939
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -214.740790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.740790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.740790 (E_RNA)
where:
Base-Base interactions energy: -124.358
where: short stacking energy: -50.760
Base-Backbone interact. energy: -0.629
local terms energy: -89.753644
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -140.570958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.570958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.570958 (E_RNA)
where:
Base-Base interactions energy: -59.650
where: short stacking energy: -30.267
Base-Backbone interact. energy: -1.057
local terms energy: -79.864113
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -14.323
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: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -123.698672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.698672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.698672 (E_RNA)
where:
Base-Base interactions energy: -55.131
where: short stacking energy: -33.268
Base-Backbone interact. energy: -0.446
local terms energy: -68.121375
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -8.635
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: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -100.397144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.397144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.397144 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -29.951
Base-Backbone interact. energy: 1.216
local terms energy: -66.968580
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -13.028
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: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -97.444122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.444122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.444122 (E_RNA)
where:
Base-Base interactions energy: -29.714
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.440
local terms energy: -67.289837
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -368.253799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.253799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.253799 (E_RNA)
where:
Base-Base interactions energy: -250.201
where: short stacking energy: -109.296
Base-Backbone interact. energy: -0.004
local terms energy: -118.048595
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -31.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -360.926217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.926217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.926217 (E_RNA)
where:
Base-Base interactions energy: -240.779
where: short stacking energy: -100.859
Base-Backbone interact. energy: 0.650
local terms energy: -120.797453
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -34.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -353.132663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.132663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.132663 (E_RNA)
where:
Base-Base interactions energy: -240.231
where: short stacking energy: -97.879
Base-Backbone interact. energy: -0.008
local terms energy: -112.893951
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -32.647
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -322.976603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.976603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.976603 (E_RNA)
where:
Base-Base interactions energy: -216.916
where: short stacking energy: -85.936
Base-Backbone interact. energy: -0.302
local terms energy: -105.758313
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -25.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -250.645808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.645808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.645808 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.511
local terms energy: -95.452618
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -211.428524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.428524 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -56.646
Base-Backbone interact. energy: 0.708
local terms energy: -84.883949
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -205.911805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.911805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.911805 (E_RNA)
where:
Base-Base interactions energy: -132.235
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.275
local terms energy: -73.401485
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -135.936526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.936526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.936526 (E_RNA)
where:
Base-Base interactions energy: -73.502
where: short stacking energy: -35.071
Base-Backbone interact. energy: -0.335
local terms energy: -62.099595
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -2.897
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: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -102.811653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.811653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.811653 (E_RNA)
where:
Base-Base interactions energy: -44.233
where: short stacking energy: -26.668
Base-Backbone interact. energy: 0.405
local terms energy: -58.983512
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.330
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: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -108.936262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.936262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.936262 (E_RNA)
where:
Base-Base interactions energy: -51.731
where: short stacking energy: -39.381
Base-Backbone interact. energy: -0.424
local terms energy: -56.781647
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -367.911982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.911982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.911982 (E_RNA)
where:
Base-Base interactions energy: -252.064
where: short stacking energy: -108.627
Base-Backbone interact. energy: -0.002
local terms energy: -115.845481
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -361.448283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.448283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.448283 (E_RNA)
where:
Base-Base interactions energy: -245.339
where: short stacking energy: -95.996
Base-Backbone interact. energy: -0.007
local terms energy: -116.102678
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -31.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -356.643483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.643483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.643483 (E_RNA)
where:
Base-Base interactions energy: -237.152
where: short stacking energy: -99.918
Base-Backbone interact. energy: -0.023
local terms energy: -119.468593
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -33.415
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -337.062372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.062372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.062372 (E_RNA)
where:
Base-Base interactions energy: -224.509
where: short stacking energy: -91.175
Base-Backbone interact. energy: -0.429
local terms energy: -112.124152
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -30.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -259.018404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.018404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.018404 (E_RNA)
where:
Base-Base interactions energy: -171.745
where: short stacking energy: -63.780
Base-Backbone interact. energy: 0.273
local terms energy: -87.546076
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -246.969736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.969736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.969736 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -59.979
Base-Backbone interact. energy: 0.732
local terms energy: -95.634371
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -195.998392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.998392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.998392 (E_RNA)
where:
Base-Base interactions energy: -108.550
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.212
local terms energy: -87.236193
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -106.986926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.986926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.986926 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -25.649
Base-Backbone interact. energy: -0.873
local terms energy: -73.144286
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -103.252484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.252484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.252484 (E_RNA)
where:
Base-Base interactions energy: -45.805
where: short stacking energy: -21.274
Base-Backbone interact. energy: -0.866
local terms energy: -56.580692
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: 7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -91.893742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893742 (E_RNA)
where:
Base-Base interactions energy: -43.290
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.863
local terms energy: -47.741066
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: 0.007
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: 88
Temperature: 0.900000
Total energy: -363.849096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.849096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.849096 (E_RNA)
where:
Base-Base interactions energy: -245.153
where: short stacking energy: -101.748
Base-Backbone interact. energy: -0.008
local terms energy: -118.688152
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -25.538
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -35.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -355.529953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.529953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.529953 (E_RNA)
where:
Base-Base interactions energy: -236.593
where: short stacking energy: -97.151
Base-Backbone interact. energy: -0.106
local terms energy: -118.830452
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -34.522
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -328.508374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.508374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.508374 (E_RNA)
where:
Base-Base interactions energy: -222.825
where: short stacking energy: -88.249
Base-Backbone interact. energy: -0.003
local terms energy: -105.681127
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -344.909672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.909672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.909672 (E_RNA)
where:
Base-Base interactions energy: -242.100
where: short stacking energy: -93.381
Base-Backbone interact. energy: 0.178
local terms energy: -102.987605
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -295.157861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.157861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.157861 (E_RNA)
where:
Base-Base interactions energy: -193.131
where: short stacking energy: -71.771
Base-Backbone interact. energy: 2.020
local terms energy: -104.047017
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -229.667681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.667681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.667681 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.375
local terms energy: -89.747665
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -127.938950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.938950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.938950 (E_RNA)
where:
Base-Base interactions energy: -47.678
where: short stacking energy: -28.748
Base-Backbone interact. energy: -0.302
local terms energy: -79.959119
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -157.562531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.562531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.562531 (E_RNA)
where:
Base-Base interactions energy: -83.920
where: short stacking energy: -42.476
Base-Backbone interact. energy: 0.225
local terms energy: -73.867783
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -8.966
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: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -104.040725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040725 (E_RNA)
where:
Base-Base interactions energy: -39.148
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.774
local terms energy: -64.118695
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -88.151321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151321 (E_RNA)
where:
Base-Base interactions energy: -24.507
where: short stacking energy: -19.575
Base-Backbone interact. energy: -0.217
local terms energy: -63.428156
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -373.425936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.425936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.425936 (E_RNA)
where:
Base-Base interactions energy: -256.897
where: short stacking energy: -108.190
Base-Backbone interact. energy: -0.000
local terms energy: -116.528074
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -33.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -352.037133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.037133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.037133 (E_RNA)
where:
Base-Base interactions energy: -233.494
where: short stacking energy: -96.574
Base-Backbone interact. energy: -0.001
local terms energy: -118.541627
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -34.194
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: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -350.931389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.931389 (E_RNA)
where:
Base-Base interactions energy: -241.377
where: short stacking energy: -94.079
Base-Backbone interact. energy: -0.065
local terms energy: -109.489448
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -28.071
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: 89
Temperature: 1.050000
Total energy: -342.934691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.934691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.934691 (E_RNA)
where:
Base-Base interactions energy: -239.839
where: short stacking energy: -93.746
Base-Backbone interact. energy: 1.955
local terms energy: -105.051659
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -29.926
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -290.206334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.206334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.206334 (E_RNA)
where:
Base-Base interactions energy: -189.886
where: short stacking energy: -73.501
Base-Backbone interact. energy: 0.833
local terms energy: -101.153269
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -235.653927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.653927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.653927 (E_RNA)
where:
Base-Base interactions energy: -153.317
where: short stacking energy: -53.769
Base-Backbone interact. energy: 0.760
local terms energy: -83.096242
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -130.263784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.263784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.263784 (E_RNA)
where:
Base-Base interactions energy: -72.492
where: short stacking energy: -32.955
Base-Backbone interact. energy: 0.762
local terms energy: -58.533684
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -0.782
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: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -158.877851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.877851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.877851 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -49.496
Base-Backbone interact. energy: 0.456
local terms energy: -61.951621
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -112.003087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.003087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.003087 (E_RNA)
where:
Base-Base interactions energy: -62.748
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.243
local terms energy: -49.011884
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.697
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: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -96.726167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.726167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.726167 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.270
local terms energy: -53.165421
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -368.104331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.104331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.104331 (E_RNA)
where:
Base-Base interactions energy: -249.925
where: short stacking energy: -103.913
Base-Backbone interact. energy: -0.003
local terms energy: -118.176473
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -35.168
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: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -348.316139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.316139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.316139 (E_RNA)
where:
Base-Base interactions energy: -233.688
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.058
local terms energy: -114.570535
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -346.898569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.898569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.898569 (E_RNA)
where:
Base-Base interactions energy: -234.017
where: short stacking energy: -98.018
Base-Backbone interact. energy: -0.000
local terms energy: -112.881629
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -31.056
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: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -330.391392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.391392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.391392 (E_RNA)
where:
Base-Base interactions energy: -217.661
where: short stacking energy: -89.008
Base-Backbone interact. energy: -0.008
local terms energy: -112.721729
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -29.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -301.010816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.010816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.010816 (E_RNA)
where:
Base-Base interactions energy: -196.217
where: short stacking energy: -78.088
Base-Backbone interact. energy: -0.157
local terms energy: -104.636409
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -233.084951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.084951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.084951 (E_RNA)
where:
Base-Base interactions energy: -140.418
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.134
local terms energy: -92.533181
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -163.287243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.287243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.287243 (E_RNA)
where:
Base-Base interactions energy: -84.048
where: short stacking energy: -46.051
Base-Backbone interact. energy: -0.536
local terms energy: -78.703612
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -11.125
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: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -119.423803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.423803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.423803 (E_RNA)
where:
Base-Base interactions energy: -53.902
where: short stacking energy: -13.264
Base-Backbone interact. energy: -0.644
local terms energy: -64.877501
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: 5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -117.954352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.954352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.954352 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -38.232
Base-Backbone interact. energy: -0.455
local terms energy: -61.981107
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -86.741130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.741130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.741130 (E_RNA)
where:
Base-Base interactions energy: -26.364
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.303
local terms energy: -60.073856
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -12.950
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: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -365.111126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.111126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.111126 (E_RNA)
where:
Base-Base interactions energy: -247.663
where: short stacking energy: -98.761
Base-Backbone interact. energy: -0.003
local terms energy: -117.444596
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -20.742
tors. eta vs tors. theta energy: -33.746
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: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -349.072650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.072650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.072650 (E_RNA)
where:
Base-Base interactions energy: -237.926
where: short stacking energy: -86.539
Base-Backbone interact. energy: -0.030
local terms energy: -111.117484
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -36.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -347.526360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.526360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.526360 (E_RNA)
where:
Base-Base interactions energy: -237.360
where: short stacking energy: -96.422
Base-Backbone interact. energy: -0.009
local terms energy: -110.157397
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -329.978498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.978498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.978498 (E_RNA)
where:
Base-Base interactions energy: -226.094
where: short stacking energy: -88.231
Base-Backbone interact. energy: -0.005
local terms energy: -103.880022
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -30.110
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: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -324.031914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.031914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.031914 (E_RNA)
where:
Base-Base interactions energy: -228.589
where: short stacking energy: -91.951
Base-Backbone interact. energy: -0.031
local terms energy: -95.412439
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -30.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -122.744514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.744514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.744514 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -29.160
Base-Backbone interact. energy: -0.617
local terms energy: -72.648377
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -204.244980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244980 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -48.738
Base-Backbone interact. energy: -0.217
local terms energy: -89.366449
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -110.241040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.241040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.241040 (E_RNA)
where:
Base-Base interactions energy: -37.116
where: short stacking energy: -27.606
Base-Backbone interact. energy: -0.186
local terms energy: -72.938950
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -111.421511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.421511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.421511 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -24.367
Base-Backbone interact. energy: 1.697
local terms energy: -61.844426
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -106.651536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.651536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.651536 (E_RNA)
where:
Base-Base interactions energy: -42.047
where: short stacking energy: -18.029
Base-Backbone interact. energy: 0.665
local terms energy: -65.269176
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -363.457452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.457452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.457452 (E_RNA)
where:
Base-Base interactions energy: -244.555
where: short stacking energy: -103.094
Base-Backbone interact. energy: 0.156
local terms energy: -119.057898
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -33.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -355.053467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.053467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.053467 (E_RNA)
where:
Base-Base interactions energy: -252.855
where: short stacking energy: -98.517
Base-Backbone interact. energy: -0.019
local terms energy: -102.179042
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -31.685
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: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -362.838888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.838888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.838888 (E_RNA)
where:
Base-Base interactions energy: -246.850
where: short stacking energy: -103.512
Base-Backbone interact. energy: -0.011
local terms energy: -115.977678
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -36.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -330.051024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.051024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.051024 (E_RNA)
where:
Base-Base interactions energy: -225.642
where: short stacking energy: -89.858
Base-Backbone interact. energy: -0.096
local terms energy: -104.313109
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -29.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -305.962998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.962998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.962998 (E_RNA)
where:
Base-Base interactions energy: -202.485
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.735
local terms energy: -102.743587
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -117.022570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.022570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.022570 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -33.856
Base-Backbone interact. energy: 0.164
local terms energy: -82.468002
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -9.898
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: 92
Temperature: 1.200000
Total energy: -159.207219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.207219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.207219 (E_RNA)
where:
Base-Base interactions energy: -94.210
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.805
local terms energy: -64.192085
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -111.837451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.837451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.837451 (E_RNA)
where:
Base-Base interactions energy: -45.769
where: short stacking energy: -31.314
Base-Backbone interact. energy: 1.843
local terms energy: -67.911507
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -3.655
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -120.022381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.022381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.022381 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.944
local terms energy: -77.770121
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -6.890
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: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -95.654284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.654284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.654284 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.872
local terms energy: -65.021355
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -364.718121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.718121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.718121 (E_RNA)
where:
Base-Base interactions energy: -253.972
where: short stacking energy: -101.077
Base-Backbone interact. energy: -0.019
local terms energy: -110.726313
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -33.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -369.117166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.117166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.117166 (E_RNA)
where:
Base-Base interactions energy: -252.132
where: short stacking energy: -94.856
Base-Backbone interact. energy: -0.025
local terms energy: -116.960517
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -31.816
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: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -344.079680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.079680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.079680 (E_RNA)
where:
Base-Base interactions energy: -232.690
where: short stacking energy: -94.206
Base-Backbone interact. energy: -0.176
local terms energy: -111.213737
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -349.310200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.310200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.310200 (E_RNA)
where:
Base-Base interactions energy: -231.803
where: short stacking energy: -96.953
Base-Backbone interact. energy: -0.045
local terms energy: -117.461802
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -33.836
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: 93
Temperature: 1.100000
Total energy: -309.763687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.763687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.763687 (E_RNA)
where:
Base-Base interactions energy: -207.312
where: short stacking energy: -87.017
Base-Backbone interact. energy: 0.703
local terms energy: -103.154181
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -124.044224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.044224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.044224 (E_RNA)
where:
Base-Base interactions energy: -64.304
where: short stacking energy: -40.766
Base-Backbone interact. energy: 0.667
local terms energy: -60.407524
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -131.103317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.103317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.103317 (E_RNA)
where:
Base-Base interactions energy: -65.514
where: short stacking energy: -24.709
Base-Backbone interact. energy: -1.055
local terms energy: -64.534201
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: 4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -102.606020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.606020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.606020 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.196
local terms energy: -67.910497
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -13.408
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -105.352012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.352012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.352012 (E_RNA)
where:
Base-Base interactions energy: -36.435
where: short stacking energy: -16.331
Base-Backbone interact. energy: 0.048
local terms energy: -68.965364
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -91.457921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457921 (E_RNA)
where:
Base-Base interactions energy: -22.096
where: short stacking energy: -21.482
Base-Backbone interact. energy: -0.236
local terms energy: -69.125608
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.675
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: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -363.325202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.325202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.325202 (E_RNA)
where:
Base-Base interactions energy: -247.578
where: short stacking energy: -100.797
Base-Backbone interact. energy: -1.699
local terms energy: -114.048824
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -35.083
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: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -353.729762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.729762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.729762 (E_RNA)
where:
Base-Base interactions energy: -236.460
where: short stacking energy: -93.246
Base-Backbone interact. energy: -0.014
local terms energy: -117.255153
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -32.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -352.527061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.527061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.527061 (E_RNA)
where:
Base-Base interactions energy: -240.847
where: short stacking energy: -99.659
Base-Backbone interact. energy: -0.924
local terms energy: -110.756078
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -31.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -346.334326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.334326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.334326 (E_RNA)
where:
Base-Base interactions energy: -228.801
where: short stacking energy: -98.219
Base-Backbone interact. energy: -0.069
local terms energy: -117.465062
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -29.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -311.504285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.504285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.504285 (E_RNA)
where:
Base-Base interactions energy: -203.259
where: short stacking energy: -81.002
Base-Backbone interact. energy: -0.400
local terms energy: -107.845737
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -23.563
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -26.075
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: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -125.833750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.833750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.833750 (E_RNA)
where:
Base-Base interactions energy: -52.949
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.480
local terms energy: -72.404603
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -7.791
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: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -131.652108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.652108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.652108 (E_RNA)
where:
Base-Base interactions energy: -58.444
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.040
local terms energy: -73.168915
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.861
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: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -106.413961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.413961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.413961 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -38.337
Base-Backbone interact. energy: 0.041
local terms energy: -67.355865
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -13.296
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: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -104.440560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.440560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.440560 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -41.054
Base-Backbone interact. energy: -1.896
local terms energy: -60.856043
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -117.460252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.460252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.460252 (E_RNA)
where:
Base-Base interactions energy: -54.482
where: short stacking energy: -40.218
Base-Backbone interact. energy: -0.305
local terms energy: -62.672564
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -368.698110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.698110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.698110 (E_RNA)
where:
Base-Base interactions energy: -245.695
where: short stacking energy: -106.208
Base-Backbone interact. energy: -0.008
local terms energy: -122.995684
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -37.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -357.279154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.279154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.279154 (E_RNA)
where:
Base-Base interactions energy: -247.743
where: short stacking energy: -101.042
Base-Backbone interact. energy: -0.137
local terms energy: -109.399083
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -32.468
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: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -348.403792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.403792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.403792 (E_RNA)
where:
Base-Base interactions energy: -230.489
where: short stacking energy: -101.192
Base-Backbone interact. energy: 0.526
local terms energy: -118.440544
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -33.245
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -348.357494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.357494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.357494 (E_RNA)
where:
Base-Base interactions energy: -240.945
where: short stacking energy: -94.708
Base-Backbone interact. energy: -0.003
local terms energy: -107.409519
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -29.243
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: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -311.293001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.293001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.293001 (E_RNA)
where:
Base-Base interactions energy: -207.241
where: short stacking energy: -84.675
Base-Backbone interact. energy: -0.127
local terms energy: -103.924259
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -27.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -127.276435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.276435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.276435 (E_RNA)
where:
Base-Base interactions energy: -43.588
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.017
local terms energy: -83.670943
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -116.673089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.673089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.673089 (E_RNA)
where:
Base-Base interactions energy: -52.037
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.046
local terms energy: -64.589699
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -117.884930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.884930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.884930 (E_RNA)
where:
Base-Base interactions energy: -51.968
where: short stacking energy: -31.941
Base-Backbone interact. energy: 1.818
local terms energy: -67.734126
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -11.374
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: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -110.066801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.066801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.066801 (E_RNA)
where:
Base-Base interactions energy: -42.625
where: short stacking energy: -36.817
Base-Backbone interact. energy: -0.793
local terms energy: -66.648505
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -105.297973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.297973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.297973 (E_RNA)
where:
Base-Base interactions energy: -41.227
where: short stacking energy: -24.255
Base-Backbone interact. energy: -1.089
local terms energy: -62.981862
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.481
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: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -353.180118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.180118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.180118 (E_RNA)
where:
Base-Base interactions energy: -235.852
where: short stacking energy: -93.417
Base-Backbone interact. energy: 0.332
local terms energy: -117.660382
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -29.212
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -364.495745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.495745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.495745 (E_RNA)
where:
Base-Base interactions energy: -243.798
where: short stacking energy: -101.172
Base-Backbone interact. energy: -1.056
local terms energy: -119.642364
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -345.000183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.000183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.000183 (E_RNA)
where:
Base-Base interactions energy: -228.572
where: short stacking energy: -90.252
Base-Backbone interact. energy: -0.026
local terms energy: -116.401910
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -30.384
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -338.536876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.536876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.536876 (E_RNA)
where:
Base-Base interactions energy: -229.794
where: short stacking energy: -85.820
Base-Backbone interact. energy: -0.068
local terms energy: -108.674901
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -30.075
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: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -316.562819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.562819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.562819 (E_RNA)
where:
Base-Base interactions energy: -209.391
where: short stacking energy: -82.333
Base-Backbone interact. energy: 0.005
local terms energy: -107.177218
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -30.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -123.603929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.603929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.603929 (E_RNA)
where:
Base-Base interactions energy: -50.993
where: short stacking energy: -44.573
Base-Backbone interact. energy: -0.317
local terms energy: -72.293711
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -120.525123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.525123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.525123 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.553
local terms energy: -77.337265
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -125.293812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.293812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.293812 (E_RNA)
where:
Base-Base interactions energy: -50.564
where: short stacking energy: -23.149
Base-Backbone interact. energy: -2.238
local terms energy: -72.491869
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: 1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -120.321815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.321815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.321815 (E_RNA)
where:
Base-Base interactions energy: -49.002
where: short stacking energy: -24.848
Base-Backbone interact. energy: 0.130
local terms energy: -71.449949
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -94.079846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.079846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.079846 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -22.140
Base-Backbone interact. energy: -0.339
local terms energy: -62.697115
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -351.589205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.589205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.589205 (E_RNA)
where:
Base-Base interactions energy: -236.100
where: short stacking energy: -98.842
Base-Backbone interact. energy: -0.002
local terms energy: -115.486885
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -25.292
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -31.661
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: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -336.336364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.336364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.336364 (E_RNA)
where:
Base-Base interactions energy: -225.233
where: short stacking energy: -86.292
Base-Backbone interact. energy: -0.042
local terms energy: -111.060998
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -29.362
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: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -349.739091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.739091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.739091 (E_RNA)
where:
Base-Base interactions energy: -236.971
where: short stacking energy: -93.449
Base-Backbone interact. energy: -0.057
local terms energy: -112.710402
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -34.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -347.843614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.843614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.843614 (E_RNA)
where:
Base-Base interactions energy: -236.466
where: short stacking energy: -92.984
Base-Backbone interact. energy: 0.196
local terms energy: -111.573794
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -28.888
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: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -317.533559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.533559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.533559 (E_RNA)
where:
Base-Base interactions energy: -215.968
where: short stacking energy: -85.285
Base-Backbone interact. energy: -0.133
local terms energy: -101.432341
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -124.740242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.740242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.740242 (E_RNA)
where:
Base-Base interactions energy: -49.347
where: short stacking energy: -34.033
Base-Backbone interact. energy: 2.054
local terms energy: -77.446436
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -112.110903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.110903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.110903 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -33.756
Base-Backbone interact. energy: -1.140
local terms energy: -75.156605
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -115.592162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.592162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.592162 (E_RNA)
where:
Base-Base interactions energy: -52.921
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.835
local terms energy: -61.836371
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: 2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -106.652080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.652080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.652080 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -15.364
Base-Backbone interact. energy: 0.503
local terms energy: -72.413685
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: 5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -95.483445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.483445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.483445 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.699
local terms energy: -62.848909
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -352.492266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.492266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.492266 (E_RNA)
where:
Base-Base interactions energy: -242.713
where: short stacking energy: -94.574
Base-Backbone interact. energy: 0.216
local terms energy: -109.995240
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -360.394024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.394024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.394024 (E_RNA)
where:
Base-Base interactions energy: -243.154
where: short stacking energy: -99.284
Base-Backbone interact. energy: -0.538
local terms energy: -116.702295
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -361.067608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.067608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.067608 (E_RNA)
where:
Base-Base interactions energy: -239.941
where: short stacking energy: -106.887
Base-Backbone interact. energy: 0.020
local terms energy: -121.146769
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -25.965
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -349.785785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.785785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.785785 (E_RNA)
where:
Base-Base interactions energy: -233.667
where: short stacking energy: -94.163
Base-Backbone interact. energy: -1.569
local terms energy: -114.550579
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -32.667
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: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -334.318868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.318868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.318868 (E_RNA)
where:
Base-Base interactions energy: -221.009
where: short stacking energy: -90.760
Base-Backbone interact. energy: -0.079
local terms energy: -113.231830
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -129.955600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.955600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.955600 (E_RNA)
where:
Base-Base interactions energy: -62.837
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.134
local terms energy: -66.984603
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -13.300
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: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -122.064200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.064200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.064200 (E_RNA)
where:
Base-Base interactions energy: -47.821
where: short stacking energy: -30.000
Base-Backbone interact. energy: 0.044
local terms energy: -74.286928
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -9.504
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -108.065924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.065924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.065924 (E_RNA)
where:
Base-Base interactions energy: -41.339
where: short stacking energy: -29.511
Base-Backbone interact. energy: -0.124
local terms energy: -66.602579
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.940
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: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -96.867715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.867715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.867715 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -29.786
Base-Backbone interact. energy: -0.244
local terms energy: -57.982450
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.416
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: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -91.403054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.403054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.403054 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -11.597
Base-Backbone interact. energy: -0.603
local terms energy: -61.177591
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -365.922789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.922789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.922789 (E_RNA)
where:
Base-Base interactions energy: -248.789
where: short stacking energy: -97.592
Base-Backbone interact. energy: -0.471
local terms energy: -116.662146
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -31.222
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -356.376729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.376729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.376729 (E_RNA)
where:
Base-Base interactions energy: -245.300
where: short stacking energy: -101.251
Base-Backbone interact. energy: -0.027
local terms energy: -111.050079
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -347.883815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.883815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.883815 (E_RNA)
where:
Base-Base interactions energy: -227.281
where: short stacking energy: -80.810
Base-Backbone interact. energy: -0.750
local terms energy: -119.853282
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -32.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -337.694751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.694751 (E_RNA)
where:
Base-Base interactions energy: -222.773
where: short stacking energy: -86.127
Base-Backbone interact. energy: -0.192
local terms energy: -114.729753
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -29.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -338.200610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.200610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.200610 (E_RNA)
where:
Base-Base interactions energy: -234.176
where: short stacking energy: -96.685
Base-Backbone interact. energy: -0.730
local terms energy: -103.294445
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -32.869
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: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -138.451215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.451215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.451215 (E_RNA)
where:
Base-Base interactions energy: -61.132
where: short stacking energy: -33.282
Base-Backbone interact. energy: -0.553
local terms energy: -76.765987
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -14.144
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: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -124.108149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.108149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.108149 (E_RNA)
where:
Base-Base interactions energy: -49.866
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.307
local terms energy: -73.935642
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -105.450225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.450225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.450225 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.292
local terms energy: -66.022403
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: 2.484
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: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -105.085448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.085448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.085448 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -27.764
Base-Backbone interact. energy: -1.578
local terms energy: -68.875367
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -16.984
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: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -89.022110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022110 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -20.050
Base-Backbone interact. energy: -0.257
local terms energy: -58.470017
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: 4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -362.682997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.682997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.682997 (E_RNA)
where:
Base-Base interactions energy: -249.450
where: short stacking energy: -103.823
Base-Backbone interact. energy: -0.003
local terms energy: -113.229712
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -358.432123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.432123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.432123 (E_RNA)
where:
Base-Base interactions energy: -237.877
where: short stacking energy: -92.084
Base-Backbone interact. energy: -0.006
local terms energy: -120.549534
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -24.772
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -32.440
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: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -345.258790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.258790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.258790 (E_RNA)
where:
Base-Base interactions energy: -233.046
where: short stacking energy: -95.587
Base-Backbone interact. energy: -0.005
local terms energy: -112.207631
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -348.100215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.100215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.100215 (E_RNA)
where:
Base-Base interactions energy: -233.876
where: short stacking energy: -92.657
Base-Backbone interact. energy: -0.002
local terms energy: -114.222784
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -337.972541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.972541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.972541 (E_RNA)
where:
Base-Base interactions energy: -225.898
where: short stacking energy: -89.894
Base-Backbone interact. energy: -0.037
local terms energy: -112.038130
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -144.571857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.571857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.571857 (E_RNA)
where:
Base-Base interactions energy: -74.469
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.159
local terms energy: -69.944527
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -15.332
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: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -135.287251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.287251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.287251 (E_RNA)
where:
Base-Base interactions energy: -58.062
where: short stacking energy: -41.953
Base-Backbone interact. energy: -0.277
local terms energy: -76.947830
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -112.152197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.152197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.152197 (E_RNA)
where:
Base-Base interactions energy: -46.086
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.474
local terms energy: -65.592742
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -105.020707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.020707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.020707 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -37.679
Base-Backbone interact. energy: 0.026
local terms energy: -63.299189
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -2.495
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: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -102.261692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.261692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.261692 (E_RNA)
where:
Base-Base interactions energy: -36.708
where: short stacking energy: -31.983
Base-Backbone interact. energy: -0.236
local terms energy: -65.317495
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -366.911031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.911031 (E_RNA)
where:
Base-Base interactions energy: -246.880
where: short stacking energy: -99.054
Base-Backbone interact. energy: -0.396
local terms energy: -119.635331
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -36.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -357.248104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.248104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.248104 (E_RNA)
where:
Base-Base interactions energy: -234.598
where: short stacking energy: -98.902
Base-Backbone interact. energy: 0.408
local terms energy: -123.057923
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -34.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -355.985224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.985224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.985224 (E_RNA)
where:
Base-Base interactions energy: -237.454
where: short stacking energy: -98.663
Base-Backbone interact. energy: 0.279
local terms energy: -118.810890
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -35.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -345.652643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.652643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.652643 (E_RNA)
where:
Base-Base interactions energy: -228.345
where: short stacking energy: -92.319
Base-Backbone interact. energy: -0.086
local terms energy: -117.221536
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -35.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -338.680540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.680540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.680540 (E_RNA)
where:
Base-Base interactions energy: -228.807
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.004
local terms energy: -109.869926
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -31.567
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -142.821689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.821689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.821689 (E_RNA)
where:
Base-Base interactions energy: -68.046
where: short stacking energy: -31.169
Base-Backbone interact. energy: 1.951
local terms energy: -76.726813
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -14.791
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: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -127.776483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.776483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.776483 (E_RNA)
where:
Base-Base interactions energy: -57.513
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.055
local terms energy: -70.208533
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -11.942
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: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -108.436963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.436963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.436963 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.192
local terms energy: -69.351120
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -115.505524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.505524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.505524 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.547
local terms energy: -76.499026
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -96.473478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.473478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.473478 (E_RNA)
where:
Base-Base interactions energy: -41.663
where: short stacking energy: -25.254
Base-Backbone interact. energy: 0.687
local terms energy: -55.497497
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -11.076
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: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -372.521768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.521768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.521768 (E_RNA)
where:
Base-Base interactions energy: -254.624
where: short stacking energy: -101.959
Base-Backbone interact. energy: -0.085
local terms energy: -117.812329
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -33.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -354.801516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.801516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.801516 (E_RNA)
where:
Base-Base interactions energy: -232.747
where: short stacking energy: -92.111
Base-Backbone interact. energy: -0.525
local terms energy: -121.529790
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -33.998
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: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -352.248890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.248890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.248890 (E_RNA)
where:
Base-Base interactions energy: -240.354
where: short stacking energy: -103.061
Base-Backbone interact. energy: -1.189
local terms energy: -110.706046
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -30.903
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: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -343.753624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.753624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.753624 (E_RNA)
where:
Base-Base interactions energy: -234.266
where: short stacking energy: -97.232
Base-Backbone interact. energy: 0.398
local terms energy: -109.885104
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -33.643
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -329.394096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.394096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.394096 (E_RNA)
where:
Base-Base interactions energy: -217.256
where: short stacking energy: -84.942
Base-Backbone interact. energy: -1.072
local terms energy: -111.066147
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -132.361162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.361162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.361162 (E_RNA)
where:
Base-Base interactions energy: -58.016
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.603
local terms energy: -73.742042
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -124.266071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.266071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.266071 (E_RNA)
where:
Base-Base interactions energy: -50.890
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.274
local terms energy: -73.102294
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.778
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: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -102.894642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.894642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.894642 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -34.173
Base-Backbone interact. energy: -1.213
local terms energy: -62.273081
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -109.465829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.465829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.465829 (E_RNA)
where:
Base-Base interactions energy: -46.269
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.819
local terms energy: -62.378199
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -11.320
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: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -91.208527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208527 (E_RNA)
where:
Base-Base interactions energy: -22.947
where: short stacking energy: -16.735
Base-Backbone interact. energy: 1.023
local terms energy: -69.284096
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -366.117848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.117848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.117848 (E_RNA)
where:
Base-Base interactions energy: -246.129
where: short stacking energy: -102.695
Base-Backbone interact. energy: -0.399
local terms energy: -119.589407
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -33.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -360.793495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.793495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.793495 (E_RNA)
where:
Base-Base interactions energy: -244.686
where: short stacking energy: -101.043
Base-Backbone interact. energy: -0.106
local terms energy: -116.001533
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -35.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -359.352001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.352001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.352001 (E_RNA)
where:
Base-Base interactions energy: -245.514
where: short stacking energy: -95.267
Base-Backbone interact. energy: 0.346
local terms energy: -114.184080
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -32.516
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -327.086079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.086079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.086079 (E_RNA)
where:
Base-Base interactions energy: -217.945
where: short stacking energy: -88.251
Base-Backbone interact. energy: -0.071
local terms energy: -109.070373
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -28.930
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -348.418921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.418921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.418921 (E_RNA)
where:
Base-Base interactions energy: -238.752
where: short stacking energy: -100.154
Base-Backbone interact. energy: -0.037
local terms energy: -109.629911
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -34.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -115.994143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.994143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.994143 (E_RNA)
where:
Base-Base interactions energy: -38.923
where: short stacking energy: -37.909
Base-Backbone interact. energy: -0.069
local terms energy: -77.002407
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -139.548552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.548552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.548552 (E_RNA)
where:
Base-Base interactions energy: -72.113
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.228
local terms energy: -67.207890
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -119.409989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.409989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.409989 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.607
local terms energy: -84.467677
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -144.097568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.097568 (E_RNA)
where:
Base-Base interactions energy: -77.331
where: short stacking energy: -44.882
Base-Backbone interact. energy: -0.987
local terms energy: -65.779734
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -91.517269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517269 (E_RNA)
where:
Base-Base interactions energy: -24.590
where: short stacking energy: -22.849
Base-Backbone interact. energy: 0.543
local terms energy: -67.470124
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -5.243
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: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -358.564369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.564369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.564369 (E_RNA)
where:
Base-Base interactions energy: -243.500
where: short stacking energy: -95.494
Base-Backbone interact. energy: -0.062
local terms energy: -115.001798
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -26.866
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -30.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -346.539189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.539189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.539189 (E_RNA)
where:
Base-Base interactions energy: -228.002
where: short stacking energy: -87.032
Base-Backbone interact. energy: 0.101
local terms energy: -118.637758
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -32.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -338.577945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.577945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.577945 (E_RNA)
where:
Base-Base interactions energy: -229.080
where: short stacking energy: -93.662
Base-Backbone interact. energy: -0.124
local terms energy: -109.373373
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -29.278
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: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -341.980380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.980380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.980380 (E_RNA)
where:
Base-Base interactions energy: -235.878
where: short stacking energy: -95.459
Base-Backbone interact. energy: -0.212
local terms energy: -105.889844
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -31.110
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: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -341.178206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.178206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.178206 (E_RNA)
where:
Base-Base interactions energy: -240.817
where: short stacking energy: -98.589
Base-Backbone interact. energy: -0.036
local terms energy: -100.324983
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -116.101636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.101636 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.436
local terms energy: -71.645746
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -7.217
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: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -135.250012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.250012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.250012 (E_RNA)
where:
Base-Base interactions energy: -59.441
where: short stacking energy: -33.885
Base-Backbone interact. energy: 0.521
local terms energy: -76.330408
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -4.015
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: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -101.548064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.548064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.548064 (E_RNA)
where:
Base-Base interactions energy: -43.122
where: short stacking energy: -27.132
Base-Backbone interact. energy: 3.686
local terms energy: -62.111508
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -9.091
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: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -106.886337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.886337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.886337 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.428
local terms energy: -73.890937
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -13.494
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: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -94.784859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.784859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.784859 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -30.293
Base-Backbone interact. energy: 0.408
local terms energy: -58.663805
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -364.970276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.970276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.970276 (E_RNA)
where:
Base-Base interactions energy: -242.217
where: short stacking energy: -99.515
Base-Backbone interact. energy: -1.187
local terms energy: -121.566427
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -34.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -361.499415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.499415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.499415 (E_RNA)
where:
Base-Base interactions energy: -244.399
where: short stacking energy: -104.424
Base-Backbone interact. energy: -0.002
local terms energy: -117.098419
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -35.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -352.132318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.132318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.132318 (E_RNA)
where:
Base-Base interactions energy: -237.073
where: short stacking energy: -92.778
Base-Backbone interact. energy: 0.705
local terms energy: -115.764601
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -342.004058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.004058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.004058 (E_RNA)
where:
Base-Base interactions energy: -220.117
where: short stacking energy: -92.409
Base-Backbone interact. energy: -0.003
local terms energy: -121.884141
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -36.832
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: 105
Temperature: 1.100000
Total energy: -337.889516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.889516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.889516 (E_RNA)
where:
Base-Base interactions energy: -232.518
where: short stacking energy: -94.007
Base-Backbone interact. energy: -0.775
local terms energy: -104.596840
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -32.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -150.488540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.488540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.488540 (E_RNA)
where:
Base-Base interactions energy: -71.456
where: short stacking energy: -43.520
Base-Backbone interact. energy: 0.469
local terms energy: -79.500860
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -123.823917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.823917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.823917 (E_RNA)
where:
Base-Base interactions energy: -45.930
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.547
local terms energy: -77.346783
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -115.882180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.882180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.882180 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -34.591
Base-Backbone interact. energy: 0.269
local terms energy: -79.483212
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -14.323
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -106.905547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.905547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.905547 (E_RNA)
where:
Base-Base interactions energy: -30.656
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.123
local terms energy: -76.126726
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -14.232
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: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -109.172995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.172995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.172995 (E_RNA)
where:
Base-Base interactions energy: -52.306
where: short stacking energy: -34.218
Base-Backbone interact. energy: -1.290
local terms energy: -55.576329
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -363.167765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.167765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.167765 (E_RNA)
where:
Base-Base interactions energy: -246.677
where: short stacking energy: -104.630
Base-Backbone interact. energy: 0.371
local terms energy: -116.862222
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -358.243925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.243925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.243925 (E_RNA)
where:
Base-Base interactions energy: -249.751
where: short stacking energy: -102.016
Base-Backbone interact. energy: -0.078
local terms energy: -108.414576
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -32.588
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: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -348.023040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.023040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.023040 (E_RNA)
where:
Base-Base interactions energy: -234.075
where: short stacking energy: -96.721
Base-Backbone interact. energy: -0.066
local terms energy: -113.881771
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -31.818
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: 106
Temperature: 1.050000
Total energy: -340.860101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.860101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.860101 (E_RNA)
where:
Base-Base interactions energy: -226.831
where: short stacking energy: -89.024
Base-Backbone interact. energy: -0.287
local terms energy: -113.742523
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -353.971448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.971448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.971448 (E_RNA)
where:
Base-Base interactions energy: -235.222
where: short stacking energy: -91.622
Base-Backbone interact. energy: -0.404
local terms energy: -118.345310
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -34.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -174.382093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.382093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.382093 (E_RNA)
where:
Base-Base interactions energy: -96.314
where: short stacking energy: -38.804
Base-Backbone interact. energy: -1.108
local terms energy: -76.960189
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -0.910
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -119.296176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.296176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.296176 (E_RNA)
where:
Base-Base interactions energy: -41.362
where: short stacking energy: -40.521
Base-Backbone interact. energy: -1.974
local terms energy: -75.960590
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -102.332910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.332910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.332910 (E_RNA)
where:
Base-Base interactions energy: -38.811
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.131
local terms energy: -63.391575
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -111.162397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.162397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.162397 (E_RNA)
where:
Base-Base interactions energy: -43.513
where: short stacking energy: -43.513
Base-Backbone interact. energy: -0.780
local terms energy: -66.869437
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -89.655569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.655569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.655569 (E_RNA)
where:
Base-Base interactions energy: -28.015
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.134
local terms energy: -61.506859
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: 1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -369.168325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.168325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.168325 (E_RNA)
where:
Base-Base interactions energy: -254.774
where: short stacking energy: -105.638
Base-Backbone interact. energy: -0.001
local terms energy: -114.393611
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -32.382
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: 107
Temperature: 0.950000
Total energy: -351.588933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.588933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.588933 (E_RNA)
where:
Base-Base interactions energy: -241.409
where: short stacking energy: -92.423
Base-Backbone interact. energy: -0.435
local terms energy: -109.745351
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -30.226
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: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -347.086601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.086601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.086601 (E_RNA)
where:
Base-Base interactions energy: -231.473
where: short stacking energy: -93.109
Base-Backbone interact. energy: 1.256
local terms energy: -116.870504
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -31.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -354.926557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.926557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.926557 (E_RNA)
where:
Base-Base interactions energy: -235.455
where: short stacking energy: -94.361
Base-Backbone interact. energy: -1.311
local terms energy: -118.160499
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -34.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -331.164828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.164828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.164828 (E_RNA)
where:
Base-Base interactions energy: -224.488
where: short stacking energy: -88.474
Base-Backbone interact. energy: -0.042
local terms energy: -106.634351
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -216.222980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222980 (E_RNA)
where:
Base-Base interactions energy: -128.840
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.832
local terms energy: -86.551491
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -105.342131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.342131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.342131 (E_RNA)
where:
Base-Base interactions energy: -44.546
where: short stacking energy: -18.951
Base-Backbone interact. energy: 0.179
local terms energy: -60.975029
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: 6.104
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: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -94.494084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.494084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.494084 (E_RNA)
where:
Base-Base interactions energy: -24.599
where: short stacking energy: -16.655
Base-Backbone interact. energy: 0.359
local terms energy: -70.253769
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: 6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -115.093211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.093211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.093211 (E_RNA)
where:
Base-Base interactions energy: -52.668
where: short stacking energy: -25.514
Base-Backbone interact. energy: -1.465
local terms energy: -60.960050
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -11.813
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: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -95.202765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.202765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.202765 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.645
local terms energy: -57.791578
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -359.552814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.552814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.552814 (E_RNA)
where:
Base-Base interactions energy: -238.888
where: short stacking energy: -101.830
Base-Backbone interact. energy: -0.912
local terms energy: -119.752004
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -34.793
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: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -354.080755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.080755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.080755 (E_RNA)
where:
Base-Base interactions energy: -251.439
where: short stacking energy: -106.051
Base-Backbone interact. energy: -0.004
local terms energy: -102.637638
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -362.780272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.780272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.780272 (E_RNA)
where:
Base-Base interactions energy: -246.582
where: short stacking energy: -103.968
Base-Backbone interact. energy: -0.074
local terms energy: -116.123813
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -30.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -340.727645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.727645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.727645 (E_RNA)
where:
Base-Base interactions energy: -238.853
where: short stacking energy: -97.627
Base-Backbone interact. energy: -0.084
local terms energy: -101.789980
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -336.180052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.180052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.180052 (E_RNA)
where:
Base-Base interactions energy: -232.583
where: short stacking energy: -92.174
Base-Backbone interact. energy: 0.943
local terms energy: -104.539778
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -30.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -194.054370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.054370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.054370 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -51.179
Base-Backbone interact. energy: -0.345
local terms energy: -78.956796
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -18.478
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -111.955741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.955741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.955741 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.187
local terms energy: -74.019979
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -13.500
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: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -104.834745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834745 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -35.142
Base-Backbone interact. energy: -1.448
local terms energy: -61.385669
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -98.539781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539781 (E_RNA)
where:
Base-Base interactions energy: -32.683
where: short stacking energy: -29.386
Base-Backbone interact. energy: 2.358
local terms energy: -68.215669
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -1.356
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: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -103.294156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.294156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.294156 (E_RNA)
where:
Base-Base interactions energy: -47.277
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.137
local terms energy: -55.880546
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -361.863262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.863262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.863262 (E_RNA)
where:
Base-Base interactions energy: -250.967
where: short stacking energy: -102.411
Base-Backbone interact. energy: -0.302
local terms energy: -110.594557
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -35.049
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -351.297220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.297220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.297220 (E_RNA)
where:
Base-Base interactions energy: -235.980
where: short stacking energy: -92.177
Base-Backbone interact. energy: -0.037
local terms energy: -115.280341
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -32.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -350.899317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.899317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.899317 (E_RNA)
where:
Base-Base interactions energy: -233.925
where: short stacking energy: -94.430
Base-Backbone interact. energy: 0.663
local terms energy: -117.637649
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -32.524
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: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -345.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.740170 (E_RNA)
where:
Base-Base interactions energy: -230.470
where: short stacking energy: -92.434
Base-Backbone interact. energy: -0.004
local terms energy: -115.266313
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -32.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -337.305076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.305076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.305076 (E_RNA)
where:
Base-Base interactions energy: -232.981
where: short stacking energy: -90.692
Base-Backbone interact. energy: -0.001
local terms energy: -104.323142
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -195.767291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767291 (E_RNA)
where:
Base-Base interactions energy: -115.387
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.523
local terms energy: -79.856654
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -119.446579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.446579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.446579 (E_RNA)
where:
Base-Base interactions energy: -52.022
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.199
local terms energy: -67.225628
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -110.439560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.439560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.439560 (E_RNA)
where:
Base-Base interactions energy: -37.722
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.297
local terms energy: -72.420616
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -112.606201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.606201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.606201 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.072
local terms energy: -79.749936
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -101.384987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.384987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.384987 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.352
local terms energy: -58.438910
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: 0.801
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: 110
Temperature: 0.900000
Total energy: -359.058159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.058159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.058159 (E_RNA)
where:
Base-Base interactions energy: -246.368
where: short stacking energy: -100.034
Base-Backbone interact. energy: -0.011
local terms energy: -112.679220
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -32.851
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: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -357.232613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.232613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.232613 (E_RNA)
where:
Base-Base interactions energy: -237.197
where: short stacking energy: -97.308
Base-Backbone interact. energy: -0.138
local terms energy: -119.898141
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -35.701
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -355.712455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.712455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.712455 (E_RNA)
where:
Base-Base interactions energy: -241.319
where: short stacking energy: -95.044
Base-Backbone interact. energy: -0.061
local terms energy: -114.332456
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -31.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -333.681019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.681019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.681019 (E_RNA)
where:
Base-Base interactions energy: -227.216
where: short stacking energy: -88.392
Base-Backbone interact. energy: -0.168
local terms energy: -106.296244
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -336.284237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.284237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.284237 (E_RNA)
where:
Base-Base interactions energy: -226.907
where: short stacking energy: -95.029
Base-Backbone interact. energy: 0.378
local terms energy: -109.755244
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -34.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -223.811435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.811435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.811435 (E_RNA)
where:
Base-Base interactions energy: -131.181
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.470
local terms energy: -92.160468
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -116.900868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.900868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.900868 (E_RNA)
where:
Base-Base interactions energy: -48.536
where: short stacking energy: -45.337
Base-Backbone interact. energy: 0.011
local terms energy: -68.376313
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -111.641141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.641141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.641141 (E_RNA)
where:
Base-Base interactions energy: -59.115
where: short stacking energy: -27.670
Base-Backbone interact. energy: -1.792
local terms energy: -50.733695
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -101.909766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.909766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.909766 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -19.554
Base-Backbone interact. energy: -1.619
local terms energy: -64.012908
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: 4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -100.799982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.799982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.799982 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -20.016
Base-Backbone interact. energy: -0.358
local terms energy: -61.237620
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 0.017
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: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -365.418292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.418292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.418292 (E_RNA)
where:
Base-Base interactions energy: -250.306
where: short stacking energy: -96.799
Base-Backbone interact. energy: -0.254
local terms energy: -114.858283
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -32.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -353.609123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.609123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.609123 (E_RNA)
where:
Base-Base interactions energy: -242.358
where: short stacking energy: -102.175
Base-Backbone interact. energy: -0.091
local terms energy: -111.159543
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -34.353
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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -358.098055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.098055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.098055 (E_RNA)
where:
Base-Base interactions energy: -243.720
where: short stacking energy: -105.556
Base-Backbone interact. energy: 0.591
local terms energy: -114.969469
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -31.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -350.530390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.530390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.530390 (E_RNA)
where:
Base-Base interactions energy: -241.284
where: short stacking energy: -94.286
Base-Backbone interact. energy: -0.007
local terms energy: -109.240173
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -35.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -337.786754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.786754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.786754 (E_RNA)
where:
Base-Base interactions energy: -231.614
where: short stacking energy: -94.208
Base-Backbone interact. energy: -0.090
local terms energy: -106.082947
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -27.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -224.465208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.465208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.465208 (E_RNA)
where:
Base-Base interactions energy: -149.999
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.649
local terms energy: -73.817159
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -116.795522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.795522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.795522 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -39.770
Base-Backbone interact. energy: -0.313
local terms energy: -75.342785
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -101.873384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.873384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.873384 (E_RNA)
where:
Base-Base interactions energy: -30.705
where: short stacking energy: -27.485
Base-Backbone interact. energy: -1.296
local terms energy: -69.873003
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -98.291925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.291925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.291925 (E_RNA)
where:
Base-Base interactions energy: -46.288
where: short stacking energy: -31.335
Base-Backbone interact. energy: 0.004
local terms energy: -52.007251
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: 1.297
tors. eta vs tors. theta energy: 3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -100.942377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.942377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.942377 (E_RNA)
where:
Base-Base interactions energy: -36.362
where: short stacking energy: -26.536
Base-Backbone interact. energy: 0.214
local terms energy: -64.794954
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -363.823816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.823816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.823816 (E_RNA)
where:
Base-Base interactions energy: -238.291
where: short stacking energy: -99.751
Base-Backbone interact. energy: -0.104
local terms energy: -125.428568
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -362.289412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.289412 (E_RNA)
where:
Base-Base interactions energy: -249.376
where: short stacking energy: -106.882
Base-Backbone interact. energy: -0.036
local terms energy: -112.877306
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -350.640400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.640400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.640400 (E_RNA)
where:
Base-Base interactions energy: -244.568
where: short stacking energy: -98.276
Base-Backbone interact. energy: 0.124
local terms energy: -106.196829
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -346.124283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.124283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.124283 (E_RNA)
where:
Base-Base interactions energy: -228.368
where: short stacking energy: -94.085
Base-Backbone interact. energy: -0.047
local terms energy: -117.709173
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -33.863
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -341.515569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.515569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.515569 (E_RNA)
where:
Base-Base interactions energy: -230.436
where: short stacking energy: -90.935
Base-Backbone interact. energy: -0.339
local terms energy: -110.741066
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -214.532480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.532480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.532480 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.690
local terms energy: -83.786968
where:
bonds (distance) C4'-P energy: -23.219
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -114.278693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.278693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.278693 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -32.342
Base-Backbone interact. energy: 1.883
local terms energy: -75.247123
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -108.896636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.896636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.896636 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.688
local terms energy: -71.957382
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -98.743349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743349 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.222
local terms energy: -59.038834
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: 3.078
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -99.534302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534302 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -18.486
Base-Backbone interact. energy: -1.141
local terms energy: -60.676931
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -362.150751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.150751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.150751 (E_RNA)
where:
Base-Base interactions energy: -245.248
where: short stacking energy: -100.279
Base-Backbone interact. energy: -1.021
local terms energy: -115.881319
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -32.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -351.979959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.979959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.979959 (E_RNA)
where:
Base-Base interactions energy: -229.358
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.021
local terms energy: -122.601819
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -31.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -353.235853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.235853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.235853 (E_RNA)
where:
Base-Base interactions energy: -243.020
where: short stacking energy: -92.951
Base-Backbone interact. energy: -0.127
local terms energy: -110.089660
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -348.878917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.878917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.878917 (E_RNA)
where:
Base-Base interactions energy: -238.860
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.001
local terms energy: -110.017616
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -35.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -335.979918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.979918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.979918 (E_RNA)
where:
Base-Base interactions energy: -231.805
where: short stacking energy: -91.220
Base-Backbone interact. energy: -1.005
local terms energy: -103.169152
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -29.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -205.547527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.547527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.547527 (E_RNA)
where:
Base-Base interactions energy: -119.769
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.383
local terms energy: -85.395945
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -129.925260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.925260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.925260 (E_RNA)
where:
Base-Base interactions energy: -59.084
where: short stacking energy: -26.874
Base-Backbone interact. energy: 1.477
local terms energy: -72.317990
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: 3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -128.528629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.528629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.528629 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.374
local terms energy: -73.481594
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -9.990
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: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -106.194233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.194233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.194233 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -19.697
Base-Backbone interact. energy: -0.296
local terms energy: -71.737984
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: 5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -97.575184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575184 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.116
local terms energy: -68.687084
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -358.487269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.487269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.487269 (E_RNA)
where:
Base-Base interactions energy: -249.904
where: short stacking energy: -102.031
Base-Backbone interact. energy: -0.006
local terms energy: -108.576843
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -30.576
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: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -352.810074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.810074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.810074 (E_RNA)
where:
Base-Base interactions energy: -237.731
where: short stacking energy: -93.187
Base-Backbone interact. energy: -0.380
local terms energy: -114.698712
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -32.131
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -350.582497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.582497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.582497 (E_RNA)
where:
Base-Base interactions energy: -234.382
where: short stacking energy: -100.805
Base-Backbone interact. energy: -0.049
local terms energy: -116.151163
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -33.957
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -343.130514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.130514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.130514 (E_RNA)
where:
Base-Base interactions energy: -234.258
where: short stacking energy: -91.179
Base-Backbone interact. energy: -0.216
local terms energy: -108.657434
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -30.437
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: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -335.104959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.104959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.104959 (E_RNA)
where:
Base-Base interactions energy: -229.987
where: short stacking energy: -94.385
Base-Backbone interact. energy: -0.123
local terms energy: -104.995644
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -219.866725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.866725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.866725 (E_RNA)
where:
Base-Base interactions energy: -132.128
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.416
local terms energy: -87.322600
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -121.026527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.026527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.026527 (E_RNA)
where:
Base-Base interactions energy: -46.280
where: short stacking energy: -25.716
Base-Backbone interact. energy: 0.664
local terms energy: -75.410512
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: 0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -111.216674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.216674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.216674 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -32.125
Base-Backbone interact. energy: 0.429
local terms energy: -70.340365
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -99.867126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.867126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.867126 (E_RNA)
where:
Base-Base interactions energy: -31.547
where: short stacking energy: -29.545
Base-Backbone interact. energy: -0.320
local terms energy: -68.000046
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -0.502
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: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -93.312195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.312195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.312195 (E_RNA)
where:
Base-Base interactions energy: -45.139
where: short stacking energy: -24.249
Base-Backbone interact. energy: 0.791
local terms energy: -48.964248
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -2.494
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: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -370.720283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.720283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.720283 (E_RNA)
where:
Base-Base interactions energy: -241.272
where: short stacking energy: -99.139
Base-Backbone interact. energy: -0.008
local terms energy: -129.440587
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -33.698
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: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -354.486417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.486417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.486417 (E_RNA)
where:
Base-Base interactions energy: -236.666
where: short stacking energy: -93.302
Base-Backbone interact. energy: -0.008
local terms energy: -117.812938
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -31.337
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -356.751542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.751542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.751542 (E_RNA)
where:
Base-Base interactions energy: -235.549
where: short stacking energy: -102.934
Base-Backbone interact. energy: -0.001
local terms energy: -121.202025
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -34.801
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: 115
Temperature: 1.050000
Total energy: -337.890369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.890369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.890369 (E_RNA)
where:
Base-Base interactions energy: -224.751
where: short stacking energy: -97.244
Base-Backbone interact. energy: -0.010
local terms energy: -113.129635
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -31.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -341.356264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.356264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.356264 (E_RNA)
where:
Base-Base interactions energy: -230.232
where: short stacking energy: -93.124
Base-Backbone interact. energy: -0.008
local terms energy: -111.116010
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -32.774
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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -207.902239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.902239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.902239 (E_RNA)
where:
Base-Base interactions energy: -128.813
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.505
local terms energy: -78.584829
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -120.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.063468 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -24.142
Base-Backbone interact. energy: -1.020
local terms energy: -76.452894
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -107.495056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.495056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.495056 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -29.907
Base-Backbone interact. energy: -0.150
local terms energy: -75.792297
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -5.579
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -102.611526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.611526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.611526 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -37.031
Base-Backbone interact. energy: -0.253
local terms energy: -65.327604
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -89.537998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.537998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.537998 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -21.088
Base-Backbone interact. energy: 1.425
local terms energy: -61.289946
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.837
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -365.014511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.014511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.014511 (E_RNA)
where:
Base-Base interactions energy: -242.010
where: short stacking energy: -102.790
Base-Backbone interact. energy: -0.004
local terms energy: -123.000179
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -33.382
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: 116
Temperature: 0.950000
Total energy: -362.461221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.461221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.461221 (E_RNA)
where:
Base-Base interactions energy: -245.976
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.114
local terms energy: -116.371290
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -31.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -355.604912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.604912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.604912 (E_RNA)
where:
Base-Base interactions energy: -241.029
where: short stacking energy: -94.629
Base-Backbone interact. energy: -1.041
local terms energy: -113.534961
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -31.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -347.186207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.186207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.186207 (E_RNA)
where:
Base-Base interactions energy: -230.266
where: short stacking energy: -92.162
Base-Backbone interact. energy: -0.094
local terms energy: -116.825683
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -33.205
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: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -339.058749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.058749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.058749 (E_RNA)
where:
Base-Base interactions energy: -229.003
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.407
local terms energy: -109.648751
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -162.052404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.052404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.052404 (E_RNA)
where:
Base-Base interactions energy: -82.818
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.254
local terms energy: -78.980009
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -160.729817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.729817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.729817 (E_RNA)
where:
Base-Base interactions energy: -79.991
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.092
local terms energy: -80.646124
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -128.426255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.426255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.426255 (E_RNA)
where:
Base-Base interactions energy: -61.348
where: short stacking energy: -45.014
Base-Backbone interact. energy: 1.401
local terms energy: -68.479485
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -3.065
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -124.002658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.002658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.002658 (E_RNA)
where:
Base-Base interactions energy: -50.732
where: short stacking energy: -32.946
Base-Backbone interact. energy: 2.109
local terms energy: -75.379627
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -93.392450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392450 (E_RNA)
where:
Base-Base interactions energy: -26.879
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.436
local terms energy: -66.077583
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: 3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -365.039047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.039047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.039047 (E_RNA)
where:
Base-Base interactions energy: -246.574
where: short stacking energy: -99.267
Base-Backbone interact. energy: -0.014
local terms energy: -118.451029
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -33.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -349.795412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.795412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.795412 (E_RNA)
where:
Base-Base interactions energy: -232.160
where: short stacking energy: -92.650
Base-Backbone interact. energy: -0.619
local terms energy: -117.016636
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -28.559
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: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -352.284742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.284742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.284742 (E_RNA)
where:
Base-Base interactions energy: -239.125
where: short stacking energy: -102.803
Base-Backbone interact. energy: -0.038
local terms energy: -113.121418
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -37.050
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -350.785911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.785911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.785911 (E_RNA)
where:
Base-Base interactions energy: -231.180
where: short stacking energy: -90.633
Base-Backbone interact. energy: -0.002
local terms energy: -119.603740
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -33.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -340.572125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.572125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.572125 (E_RNA)
where:
Base-Base interactions energy: -232.352
where: short stacking energy: -91.401
Base-Backbone interact. energy: -0.008
local terms energy: -108.211815
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -31.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -202.365362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365362 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -50.139
Base-Backbone interact. energy: 0.055
local terms energy: -88.799719
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -170.455940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.455940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.455940 (E_RNA)
where:
Base-Base interactions energy: -81.777
where: short stacking energy: -38.934
Base-Backbone interact. energy: 0.218
local terms energy: -88.897374
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -107.889963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.889963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.889963 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.156
local terms energy: -74.191560
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -7.372
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: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -93.001943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.001943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.001943 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.631
local terms energy: -56.550940
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.013
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -93.491367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.491367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.491367 (E_RNA)
where:
Base-Base interactions energy: -24.629
where: short stacking energy: -23.058
Base-Backbone interact. energy: 0.461
local terms energy: -69.323835
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: 7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -359.854715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.854715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.854715 (E_RNA)
where:
Base-Base interactions energy: -245.841
where: short stacking energy: -101.133
Base-Backbone interact. energy: -0.021
local terms energy: -113.992709
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -34.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -355.391949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.391949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.391949 (E_RNA)
where:
Base-Base interactions energy: -244.437
where: short stacking energy: -98.607
Base-Backbone interact. energy: -0.003
local terms energy: -110.952059
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -32.179
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -358.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.003072 (E_RNA)
where:
Base-Base interactions energy: -243.607
where: short stacking energy: -97.614
Base-Backbone interact. energy: -0.028
local terms energy: -114.368907
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -34.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -341.893089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.893089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.893089 (E_RNA)
where:
Base-Base interactions energy: -236.884
where: short stacking energy: -97.503
Base-Backbone interact. energy: -0.063
local terms energy: -104.946245
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -331.136499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.136499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.136499 (E_RNA)
where:
Base-Base interactions energy: -229.237
where: short stacking energy: -90.459
Base-Backbone interact. energy: -0.236
local terms energy: -101.664063
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -188.851870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851870 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.712
local terms energy: -73.017444
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -10.024
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: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -161.038525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.038525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.038525 (E_RNA)
where:
Base-Base interactions energy: -85.982
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.392
local terms energy: -74.665038
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -6.837
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -110.960415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.960415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.960415 (E_RNA)
where:
Base-Base interactions energy: -47.767
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.814
local terms energy: -62.380132
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: 1.610
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: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -97.064379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.064379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.064379 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -16.930
Base-Backbone interact. energy: 1.351
local terms energy: -63.868645
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -102.511273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.511273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.511273 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.774
local terms energy: -70.090536
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: 1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -366.262531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.262531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.262531 (E_RNA)
where:
Base-Base interactions energy: -248.841
where: short stacking energy: -98.094
Base-Backbone interact. energy: -0.073
local terms energy: -117.348327
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -362.130934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.130934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.130934 (E_RNA)
where:
Base-Base interactions energy: -242.866
where: short stacking energy: -100.552
Base-Backbone interact. energy: 0.352
local terms energy: -119.616806
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -366.890018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.890018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.890018 (E_RNA)
where:
Base-Base interactions energy: -241.180
where: short stacking energy: -106.416
Base-Backbone interact. energy: -0.358
local terms energy: -125.351619
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -35.415
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: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -341.207815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.207815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.207815 (E_RNA)
where:
Base-Base interactions energy: -235.086
where: short stacking energy: -94.918
Base-Backbone interact. energy: -0.506
local terms energy: -105.615862
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -33.837
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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -322.831592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.831592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.831592 (E_RNA)
where:
Base-Base interactions energy: -218.521
where: short stacking energy: -83.877
Base-Backbone interact. energy: 0.016
local terms energy: -104.327075
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -194.397259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.397259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397259 (E_RNA)
where:
Base-Base interactions energy: -107.741
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.499
local terms energy: -86.157323
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -7.025
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: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -114.144805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.144805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.144805 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.356
local terms energy: -76.536416
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -113.479804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.479804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.479804 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.965
local terms energy: -67.983377
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -103.223140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.223140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.223140 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.521
local terms energy: -69.913130
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -2.893
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: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -101.447376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.447376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.447376 (E_RNA)
where:
Base-Base interactions energy: -39.773
where: short stacking energy: -33.269
Base-Backbone interact. energy: -1.983
local terms energy: -59.692319
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -1.873
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: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -368.421361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.421361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.421361 (E_RNA)
where:
Base-Base interactions energy: -243.852
where: short stacking energy: -104.768
Base-Backbone interact. energy: -0.811
local terms energy: -123.758158
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -36.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -350.264873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.264873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.264873 (E_RNA)
where:
Base-Base interactions energy: -230.899
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.438
local terms energy: -118.927722
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -19.834
tors. eta vs tors. theta energy: -30.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -348.824474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.824474 (E_RNA)
where:
Base-Base interactions energy: -245.931
where: short stacking energy: -102.338
Base-Backbone interact. energy: -0.996
local terms energy: -101.896753
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -30.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -332.143186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.143186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.143186 (E_RNA)
where:
Base-Base interactions energy: -225.019
where: short stacking energy: -89.128
Base-Backbone interact. energy: -0.071
local terms energy: -107.053974
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -32.808
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -304.395772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.395772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.395772 (E_RNA)
where:
Base-Base interactions energy: -204.346
where: short stacking energy: -80.928
Base-Backbone interact. energy: -0.807
local terms energy: -99.242216
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -209.609372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.609372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.609372 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.152
local terms energy: -77.838738
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -114.718143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.718143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.718143 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -36.409
Base-Backbone interact. energy: -0.281
local terms energy: -73.618522
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -107.664941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.664941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.664941 (E_RNA)
where:
Base-Base interactions energy: -52.921
where: short stacking energy: -24.600
Base-Backbone interact. energy: -0.490
local terms energy: -54.253479
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: 1.709
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: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -114.036027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036027 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.959
local terms energy: -74.910304
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -90.626555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626555 (E_RNA)
where:
Base-Base interactions energy: -37.967
where: short stacking energy: -20.325
Base-Backbone interact. energy: -1.073
local terms energy: -51.585734
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -362.160270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.160270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.160270 (E_RNA)
where:
Base-Base interactions energy: -243.582
where: short stacking energy: -102.206
Base-Backbone interact. energy: -0.029
local terms energy: -118.549467
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -31.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -351.321155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.321155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.321155 (E_RNA)
where:
Base-Base interactions energy: -244.890
where: short stacking energy: -104.982
Base-Backbone interact. energy: -0.064
local terms energy: -106.367417
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -32.830
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -339.825270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.825270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.825270 (E_RNA)
where:
Base-Base interactions energy: -227.664
where: short stacking energy: -90.906
Base-Backbone interact. energy: -0.122
local terms energy: -112.038720
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -339.232004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.232004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.232004 (E_RNA)
where:
Base-Base interactions energy: -229.088
where: short stacking energy: -97.071
Base-Backbone interact. energy: 1.188
local terms energy: -111.331929
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -36.828
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -329.847777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.847777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.847777 (E_RNA)
where:
Base-Base interactions energy: -229.761
where: short stacking energy: -89.683
Base-Backbone interact. energy: -0.088
local terms energy: -99.998405
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -209.600158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.600158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.600158 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.180
local terms energy: -77.465574
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -111.189641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189641 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.362
local terms energy: -66.574799
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -125.047395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.047395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.047395 (E_RNA)
where:
Base-Base interactions energy: -48.164
where: short stacking energy: -42.245
Base-Backbone interact. energy: -0.112
local terms energy: -76.771324
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -119.294568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.294568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.294568 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -32.794
Base-Backbone interact. energy: 0.064
local terms energy: -58.800025
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -5.779
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -100.562922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.562922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.562922 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.590
local terms energy: -65.076619
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -364.159289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.159289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.159289 (E_RNA)
where:
Base-Base interactions energy: -243.009
where: short stacking energy: -101.894
Base-Backbone interact. energy: -0.647
local terms energy: -120.503186
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -357.019008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.019008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.019008 (E_RNA)
where:
Base-Base interactions energy: -243.435
where: short stacking energy: -105.313
Base-Backbone interact. energy: -0.089
local terms energy: -113.494895
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -33.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -341.845608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.845608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.845608 (E_RNA)
where:
Base-Base interactions energy: -236.267
where: short stacking energy: -95.190
Base-Backbone interact. energy: -0.035
local terms energy: -105.543145
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -34.018
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: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -340.139635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.139635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.139635 (E_RNA)
where:
Base-Base interactions energy: -238.787
where: short stacking energy: -100.065
Base-Backbone interact. energy: -0.005
local terms energy: -101.347742
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -31.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -334.944338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.944338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.944338 (E_RNA)
where:
Base-Base interactions energy: -230.040
where: short stacking energy: -94.390
Base-Backbone interact. energy: -0.252
local terms energy: -104.652568
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -29.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -214.733054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.733054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.733054 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.065
local terms energy: -81.631014
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -137.322910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.322910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.322910 (E_RNA)
where:
Base-Base interactions energy: -71.456
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.405
local terms energy: -65.461885
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: 3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -122.806688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.806688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.806688 (E_RNA)
where:
Base-Base interactions energy: -52.351
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.308
local terms energy: -70.147701
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -141.974466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.974466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.974466 (E_RNA)
where:
Base-Base interactions energy: -75.622
where: short stacking energy: -23.783
Base-Backbone interact. energy: -2.034
local terms energy: -64.319014
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -11.753
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -123.656732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.656732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.656732 (E_RNA)
where:
Base-Base interactions energy: -53.309
where: short stacking energy: -37.237
Base-Backbone interact. energy: -0.512
local terms energy: -69.834945
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -358.345225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.345225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.345225 (E_RNA)
where:
Base-Base interactions energy: -252.752
where: short stacking energy: -96.829
Base-Backbone interact. energy: -0.012
local terms energy: -105.581053
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -357.865608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.865608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.865608 (E_RNA)
where:
Base-Base interactions energy: -237.476
where: short stacking energy: -106.577
Base-Backbone interact. energy: -0.091
local terms energy: -120.298555
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -33.429
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -352.507651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.507651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.507651 (E_RNA)
where:
Base-Base interactions energy: -241.580
where: short stacking energy: -88.532
Base-Backbone interact. energy: -0.035
local terms energy: -110.892438
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -27.247
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -344.888817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.888817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.888817 (E_RNA)
where:
Base-Base interactions energy: -232.706
where: short stacking energy: -94.872
Base-Backbone interact. energy: -0.002
local terms energy: -112.181112
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -32.275
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -332.585603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.585603 (E_RNA)
where:
Base-Base interactions energy: -223.383
where: short stacking energy: -89.561
Base-Backbone interact. energy: -0.045
local terms energy: -109.158270
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -28.994
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: 123
Temperature: 1.150000
Total energy: -223.588111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588111 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.159
local terms energy: -92.916331
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -22.939
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -155.302778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.302778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.302778 (E_RNA)
where:
Base-Base interactions energy: -91.314
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.230
local terms energy: -63.759234
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -110.739831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.739831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.739831 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -30.318
Base-Backbone interact. energy: 0.263
local terms energy: -66.671028
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -8.151
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -107.208049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.208049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.208049 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -23.917
Base-Backbone interact. energy: -1.032
local terms energy: -75.810401
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -92.049578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.049578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.049578 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -18.758
Base-Backbone interact. energy: -0.583
local terms energy: -62.991612
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: 8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -363.787242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.787242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.787242 (E_RNA)
where:
Base-Base interactions energy: -239.827
where: short stacking energy: -97.297
Base-Backbone interact. energy: -0.005
local terms energy: -123.955032
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -34.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -354.745281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.745281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.745281 (E_RNA)
where:
Base-Base interactions energy: -242.473
where: short stacking energy: -104.750
Base-Backbone interact. energy: -0.025
local terms energy: -112.247473
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -32.005
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -342.754396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.754396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.754396 (E_RNA)
where:
Base-Base interactions energy: -232.461
where: short stacking energy: -101.644
Base-Backbone interact. energy: 1.609
local terms energy: -111.902565
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -30.132
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: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -349.981770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.981770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.981770 (E_RNA)
where:
Base-Base interactions energy: -235.447
where: short stacking energy: -101.097
Base-Backbone interact. energy: -0.001
local terms energy: -114.533628
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -34.982
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: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -335.853187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.853187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.853187 (E_RNA)
where:
Base-Base interactions energy: -231.503
where: short stacking energy: -99.205
Base-Backbone interact. energy: -0.021
local terms energy: -104.328936
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -30.880
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: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -223.836757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.836757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.836757 (E_RNA)
where:
Base-Base interactions energy: -131.244
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.233
local terms energy: -92.360019
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -119.560016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.560016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.560016 (E_RNA)
where:
Base-Base interactions energy: -54.668
where: short stacking energy: -43.341
Base-Backbone interact. energy: -0.327
local terms energy: -64.564986
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -109.173990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.173990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.173990 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.417
local terms energy: -65.599790
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: 6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -109.307801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.307801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.307801 (E_RNA)
where:
Base-Base interactions energy: -41.382
where: short stacking energy: -18.970
Base-Backbone interact. energy: 0.270
local terms energy: -68.195735
where:
bonds (distance) C4'-P energy: -19.898
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -94.837280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.837280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.837280 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.193
local terms energy: -67.235273
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: 1.766
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -359.161172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.161172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.161172 (E_RNA)
where:
Base-Base interactions energy: -246.544
where: short stacking energy: -102.715
Base-Backbone interact. energy: -0.057
local terms energy: -112.559930
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -360.133721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.133721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.133721 (E_RNA)
where:
Base-Base interactions energy: -246.022
where: short stacking energy: -101.502
Base-Backbone interact. energy: -0.000
local terms energy: -114.111791
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -29.819
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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -353.691457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.691457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.691457 (E_RNA)
where:
Base-Base interactions energy: -246.352
where: short stacking energy: -95.351
Base-Backbone interact. energy: -0.045
local terms energy: -107.295138
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -332.964669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.964669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.964669 (E_RNA)
where:
Base-Base interactions energy: -217.026
where: short stacking energy: -91.159
Base-Backbone interact. energy: -0.010
local terms energy: -115.928568
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -29.826
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: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -350.496989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.496989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.496989 (E_RNA)
where:
Base-Base interactions energy: -242.049
where: short stacking energy: -100.856
Base-Backbone interact. energy: -0.008
local terms energy: -108.439796
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -33.970
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -230.814826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.814826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.814826 (E_RNA)
where:
Base-Base interactions energy: -150.114
where: short stacking energy: -61.000
Base-Backbone interact. energy: -0.430
local terms energy: -80.270904
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -16.497
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: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -135.168849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.168849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.168849 (E_RNA)
where:
Base-Base interactions energy: -61.657
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.197
local terms energy: -73.314331
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -14.843
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -104.739636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.739636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.739636 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.516
local terms energy: -74.418678
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -118.389198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.389198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.389198 (E_RNA)
where:
Base-Base interactions energy: -51.203
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.209
local terms energy: -66.977544
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -13.841
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: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -97.500266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500266 (E_RNA)
where:
Base-Base interactions energy: -20.559
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.522
local terms energy: -76.419129
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -360.167941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.167941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.167941 (E_RNA)
where:
Base-Base interactions energy: -238.367
where: short stacking energy: -97.700
Base-Backbone interact. energy: -0.003
local terms energy: -121.797890
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -36.211
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: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -365.518193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.518193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.518193 (E_RNA)
where:
Base-Base interactions energy: -245.587
where: short stacking energy: -97.704
Base-Backbone interact. energy: -0.006
local terms energy: -119.924827
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -37.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -330.799035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.799035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.799035 (E_RNA)
where:
Base-Base interactions energy: -230.860
where: short stacking energy: -83.650
Base-Backbone interact. energy: -0.103
local terms energy: -99.836128
where:
bonds (distance) C4'-P energy: -23.271
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -335.397072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.397072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.397072 (E_RNA)
where:
Base-Base interactions energy: -226.546
where: short stacking energy: -98.874
Base-Backbone interact. energy: -0.580
local terms energy: -108.270855
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -30.166
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -328.381857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.381857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.381857 (E_RNA)
where:
Base-Base interactions energy: -217.107
where: short stacking energy: -89.268
Base-Backbone interact. energy: -0.062
local terms energy: -111.212802
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -30.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -222.401472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401472 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -56.559
Base-Backbone interact. energy: -1.559
local terms energy: -96.717835
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -159.035258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.035258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.035258 (E_RNA)
where:
Base-Base interactions energy: -100.249
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.337
local terms energy: -58.449675
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -97.965064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965064 (E_RNA)
where:
Base-Base interactions energy: -32.821
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.163
local terms energy: -64.980511
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -111.850163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.850163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.850163 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -25.080
Base-Backbone interact. energy: -0.826
local terms energy: -67.372044
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -120.499827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.499827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.499827 (E_RNA)
where:
Base-Base interactions energy: -55.497
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.181
local terms energy: -64.822538
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -13.829
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -360.773656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.773656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.773656 (E_RNA)
where:
Base-Base interactions energy: -244.829
where: short stacking energy: -101.792
Base-Backbone interact. energy: -0.091
local terms energy: -115.853688
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -32.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -362.879927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.879927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.879927 (E_RNA)
where:
Base-Base interactions energy: -246.575
where: short stacking energy: -101.360
Base-Backbone interact. energy: -0.032
local terms energy: -116.273103
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -33.012
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: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -357.409769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.409769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.409769 (E_RNA)
where:
Base-Base interactions energy: -245.205
where: short stacking energy: -95.325
Base-Backbone interact. energy: -0.061
local terms energy: -112.143376
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -28.917
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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -350.133302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.133302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.133302 (E_RNA)
where:
Base-Base interactions energy: -237.515
where: short stacking energy: -91.103
Base-Backbone interact. energy: -0.004
local terms energy: -112.614710
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -30.939
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: 127
Temperature: 1.100000
Total energy: -338.148471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.148471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.148471 (E_RNA)
where:
Base-Base interactions energy: -232.775
where: short stacking energy: -85.259
Base-Backbone interact. energy: -1.319
local terms energy: -104.053973
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -30.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -219.531411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531411 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.125
local terms energy: -81.454733
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -177.617876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.617876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.617876 (E_RNA)
where:
Base-Base interactions energy: -101.938
where: short stacking energy: -44.617
Base-Backbone interact. energy: 0.692
local terms energy: -76.371986
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.712148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.712148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.712148 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -36.664
Base-Backbone interact. energy: -0.066
local terms energy: -69.740995
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -13.788
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: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -100.632630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.632630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.632630 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.321
local terms energy: -61.377751
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -13.962
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: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -104.507572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.507572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.507572 (E_RNA)
where:
Base-Base interactions energy: -36.390
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.411
local terms energy: -67.706771
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -11.841
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: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -370.601200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.601200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.601200 (E_RNA)
where:
Base-Base interactions energy: -252.143
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.045
local terms energy: -118.412956
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -32.015
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -366.853015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.853015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.853015 (E_RNA)
where:
Base-Base interactions energy: -244.090
where: short stacking energy: -99.644
Base-Backbone interact. energy: -0.006
local terms energy: -122.756671
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -34.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -353.174382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.174382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.174382 (E_RNA)
where:
Base-Base interactions energy: -240.933
where: short stacking energy: -88.846
Base-Backbone interact. energy: -0.309
local terms energy: -111.932540
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -27.404
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: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -340.007426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.007426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.007426 (E_RNA)
where:
Base-Base interactions energy: -225.045
where: short stacking energy: -87.924
Base-Backbone interact. energy: -0.350
local terms energy: -114.612654
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -333.563838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.563838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.563838 (E_RNA)
where:
Base-Base interactions energy: -226.397
where: short stacking energy: -87.228
Base-Backbone interact. energy: -0.011
local terms energy: -107.155617
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -236.205538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.205538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.205538 (E_RNA)
where:
Base-Base interactions energy: -148.448
where: short stacking energy: -56.267
Base-Backbone interact. energy: 0.862
local terms energy: -88.619978
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -9.750
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -252.393914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.393914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.393914 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.504
local terms energy: -92.853095
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -114.364990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.364990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.364990 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -32.659
Base-Backbone interact. energy: -0.284
local terms energy: -74.834376
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -116.329160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.329160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.329160 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.972
local terms energy: -58.606351
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -113.730538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.730538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.730538 (E_RNA)
where:
Base-Base interactions energy: -55.900
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.403
local terms energy: -57.427060
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -4.487
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: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -362.598006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.598006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.598006 (E_RNA)
where:
Base-Base interactions energy: -246.261
where: short stacking energy: -97.233
Base-Backbone interact. energy: -0.025
local terms energy: -116.312252
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -33.000
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: 129
Temperature: 0.950000
Total energy: -354.552426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.552426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.552426 (E_RNA)
where:
Base-Base interactions energy: -233.316
where: short stacking energy: -97.881
Base-Backbone interact. energy: -0.084
local terms energy: -121.152255
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -33.969
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: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -346.258227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.258227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.258227 (E_RNA)
where:
Base-Base interactions energy: -229.179
where: short stacking energy: -86.619
Base-Backbone interact. energy: -0.675
local terms energy: -116.404348
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -349.771925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.771925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.771925 (E_RNA)
where:
Base-Base interactions energy: -237.919
where: short stacking energy: -93.427
Base-Backbone interact. energy: -0.053
local terms energy: -111.799518
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -37.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -305.061977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.061977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.061977 (E_RNA)
where:
Base-Base interactions energy: -214.711
where: short stacking energy: -82.975
Base-Backbone interact. energy: -0.119
local terms energy: -90.231784
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -302.842612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.842612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.842612 (E_RNA)
where:
Base-Base interactions energy: -200.966
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.292
local terms energy: -101.585066
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -244.581243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.581243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.581243 (E_RNA)
where:
Base-Base interactions energy: -163.681
where: short stacking energy: -61.540
Base-Backbone interact. energy: -1.121
local terms energy: -79.779338
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -11.523
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: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -100.504833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.504833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.504833 (E_RNA)
where:
Base-Base interactions energy: -48.271
where: short stacking energy: -22.127
Base-Backbone interact. energy: 3.399
local terms energy: -55.632449
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -110.549514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.549514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.549514 (E_RNA)
where:
Base-Base interactions energy: -38.305
where: short stacking energy: -35.178
Base-Backbone interact. energy: 0.051
local terms energy: -72.295538
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -7.643
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: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -96.778015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.778015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.778015 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.285
local terms energy: -57.076801
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: 0.929
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: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -360.713198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.713198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.713198 (E_RNA)
where:
Base-Base interactions energy: -248.487
where: short stacking energy: -99.061
Base-Backbone interact. energy: -0.104
local terms energy: -112.121353
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -34.203
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -357.914716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.914716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.914716 (E_RNA)
where:
Base-Base interactions energy: -235.574
where: short stacking energy: -99.408
Base-Backbone interact. energy: -0.006
local terms energy: -122.335565
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -353.081154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.081154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.081154 (E_RNA)
where:
Base-Base interactions energy: -240.846
where: short stacking energy: -102.076
Base-Backbone interact. energy: -0.006
local terms energy: -112.229564
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -34.199
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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -349.033750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.033750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.033750 (E_RNA)
where:
Base-Base interactions energy: -231.167
where: short stacking energy: -100.747
Base-Backbone interact. energy: -0.072
local terms energy: -117.794539
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -35.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -318.226088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.226088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.226088 (E_RNA)
where:
Base-Base interactions energy: -211.420
where: short stacking energy: -84.871
Base-Backbone interact. energy: -0.018
local terms energy: -106.787282
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -30.308
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: 130
Temperature: 1.150000
Total energy: -307.740811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.740811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.740811 (E_RNA)
where:
Base-Base interactions energy: -209.367
where: short stacking energy: -81.962
Base-Backbone interact. energy: 0.164
local terms energy: -98.537285
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -206.428159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.428159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.428159 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -54.890
Base-Backbone interact. energy: -1.367
local terms energy: -71.722043
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -108.167099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.167099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.167099 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -27.562
Base-Backbone interact. energy: -0.210
local terms energy: -57.514209
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: 2.585
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: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -106.367344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.367344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.367344 (E_RNA)
where:
Base-Base interactions energy: -36.583
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.176
local terms energy: -69.608001
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -12.120
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: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -94.545237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545237 (E_RNA)
where:
Base-Base interactions energy: -43.516
where: short stacking energy: -31.888
Base-Backbone interact. energy: 0.441
local terms energy: -51.469693
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -4.532
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: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -368.452745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.452745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.452745 (E_RNA)
where:
Base-Base interactions energy: -244.793
where: short stacking energy: -99.629
Base-Backbone interact. energy: -0.966
local terms energy: -122.693466
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -33.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -363.043426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.043426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.043426 (E_RNA)
where:
Base-Base interactions energy: -244.859
where: short stacking energy: -106.617
Base-Backbone interact. energy: -0.007
local terms energy: -118.178225
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -35.114
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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -352.476570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.476570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.476570 (E_RNA)
where:
Base-Base interactions energy: -240.554
where: short stacking energy: -99.627
Base-Backbone interact. energy: 0.400
local terms energy: -112.322471
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -35.667
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -323.169486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.169486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.169486 (E_RNA)
where:
Base-Base interactions energy: -222.380
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.161
local terms energy: -100.628084
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -25.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -329.482450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.482450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.482450 (E_RNA)
where:
Base-Base interactions energy: -221.501
where: short stacking energy: -86.173
Base-Backbone interact. energy: 3.256
local terms energy: -111.237747
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -31.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -305.002202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.002202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.002202 (E_RNA)
where:
Base-Base interactions energy: -203.107
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.793
local terms energy: -101.102181
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -26.763
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: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -184.339598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.339598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.339598 (E_RNA)
where:
Base-Base interactions energy: -120.920
where: short stacking energy: -48.002
Base-Backbone interact. energy: 0.043
local terms energy: -63.462790
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.401
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -116.046186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.046186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.046186 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.359
local terms energy: -80.968829
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -15.595
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: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -106.295467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.295467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.295467 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -19.831
Base-Backbone interact. energy: -0.253
local terms energy: -62.338675
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -5.087
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -104.231412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.231412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.231412 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.092
local terms energy: -54.556219
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -361.776905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.776905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.776905 (E_RNA)
where:
Base-Base interactions energy: -249.511
where: short stacking energy: -101.119
Base-Backbone interact. energy: -0.002
local terms energy: -112.264172
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -34.033
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: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -364.116859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.116859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.116859 (E_RNA)
where:
Base-Base interactions energy: -245.774
where: short stacking energy: -106.960
Base-Backbone interact. energy: -0.009
local terms energy: -118.334492
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -34.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -336.664116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.664116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.664116 (E_RNA)
where:
Base-Base interactions energy: -241.135
where: short stacking energy: -90.666
Base-Backbone interact. energy: -0.213
local terms energy: -95.316280
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -28.690
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -354.226408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.226408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.226408 (E_RNA)
where:
Base-Base interactions energy: -241.589
where: short stacking energy: -105.337
Base-Backbone interact. energy: -0.037
local terms energy: -112.600408
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -32.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -336.343370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.343370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.343370 (E_RNA)
where:
Base-Base interactions energy: -232.589
where: short stacking energy: -96.496
Base-Backbone interact. energy: -0.001
local terms energy: -103.753202
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -34.189
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: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -322.331113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.331113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.331113 (E_RNA)
where:
Base-Base interactions energy: -220.932
where: short stacking energy: -85.113
Base-Backbone interact. energy: -0.052
local terms energy: -101.347165
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -27.753
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: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -177.074769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.074769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.074769 (E_RNA)
where:
Base-Base interactions energy: -103.461
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.117
local terms energy: -73.496872
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -10.484
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -108.464076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.464076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.464076 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -27.025
Base-Backbone interact. energy: -1.373
local terms energy: -70.739166
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -15.184
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: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -105.749890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.749890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.749890 (E_RNA)
where:
Base-Base interactions energy: -47.775
where: short stacking energy: -22.044
Base-Backbone interact. energy: 0.156
local terms energy: -58.130544
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -14.577
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -102.467474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.467474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.467474 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -24.416
Base-Backbone interact. energy: 0.556
local terms energy: -64.278023
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -359.350152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.350152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.350152 (E_RNA)
where:
Base-Base interactions energy: -245.717
where: short stacking energy: -106.517
Base-Backbone interact. energy: 0.641
local terms energy: -114.273707
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -35.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -359.092410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.092410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.092410 (E_RNA)
where:
Base-Base interactions energy: -240.677
where: short stacking energy: -97.515
Base-Backbone interact. energy: -0.001
local terms energy: -118.414181
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -354.210990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.210990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.210990 (E_RNA)
where:
Base-Base interactions energy: -235.708
where: short stacking energy: -91.705
Base-Backbone interact. energy: -0.091
local terms energy: -118.412214
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -32.320
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: 133
Temperature: 1.050000
Total energy: -329.699381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.699381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.699381 (E_RNA)
where:
Base-Base interactions energy: -222.533
where: short stacking energy: -90.717
Base-Backbone interact. energy: -0.587
local terms energy: -106.579256
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -31.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -336.011643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.011643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.011643 (E_RNA)
where:
Base-Base interactions energy: -234.736
where: short stacking energy: -95.446
Base-Backbone interact. energy: -0.007
local terms energy: -101.268492
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -33.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -321.157748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.157748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.157748 (E_RNA)
where:
Base-Base interactions energy: -213.963
where: short stacking energy: -89.951
Base-Backbone interact. energy: -0.223
local terms energy: -106.972253
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -119.052974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.052974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.052974 (E_RNA)
where:
Base-Base interactions energy: -51.189
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.195
local terms energy: -67.668677
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -4.051
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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -107.465275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.465275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.465275 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.334
local terms energy: -61.100303
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -106.355649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.355649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.355649 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.882
local terms energy: -74.795980
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -97.164701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.164701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.164701 (E_RNA)
where:
Base-Base interactions energy: -40.818
where: short stacking energy: -31.197
Base-Backbone interact. energy: -0.373
local terms energy: -55.973389
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -364.654875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.654875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.654875 (E_RNA)
where:
Base-Base interactions energy: -245.124
where: short stacking energy: -97.206
Base-Backbone interact. energy: -0.057
local terms energy: -119.474566
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -34.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -353.151662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.151662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.151662 (E_RNA)
where:
Base-Base interactions energy: -242.380
where: short stacking energy: -98.198
Base-Backbone interact. energy: -0.001
local terms energy: -110.771466
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -32.769
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: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -317.536782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.536782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.536782 (E_RNA)
where:
Base-Base interactions energy: -215.340
where: short stacking energy: -90.864
Base-Backbone interact. energy: -0.183
local terms energy: -102.013898
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -344.336047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.336047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.336047 (E_RNA)
where:
Base-Base interactions energy: -230.370
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.613
local terms energy: -113.353474
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -31.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -333.997284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.997284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.997284 (E_RNA)
where:
Base-Base interactions energy: -229.169
where: short stacking energy: -95.380
Base-Backbone interact. energy: -0.006
local terms energy: -104.822276
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -31.075
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: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -332.330026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.330026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.330026 (E_RNA)
where:
Base-Base interactions energy: -219.947
where: short stacking energy: -82.385
Base-Backbone interact. energy: 0.324
local terms energy: -112.707867
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -28.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -117.120733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.120733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.120733 (E_RNA)
where:
Base-Base interactions energy: -43.549
where: short stacking energy: -37.158
Base-Backbone interact. energy: -0.409
local terms energy: -73.161930
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -103.044806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.044806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.044806 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.262
local terms energy: -65.083149
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -99.197332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197332 (E_RNA)
where:
Base-Base interactions energy: -25.631
where: short stacking energy: -17.808
Base-Backbone interact. energy: -0.074
local terms energy: -73.492929
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -97.585328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.585328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.585328 (E_RNA)
where:
Base-Base interactions energy: -30.496
where: short stacking energy: -19.522
Base-Backbone interact. energy: -0.231
local terms energy: -66.857581
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -0.959
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: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -368.225429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.225429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.225429 (E_RNA)
where:
Base-Base interactions energy: -252.187
where: short stacking energy: -95.720
Base-Backbone interact. energy: -0.008
local terms energy: -116.031087
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -32.689
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -363.266123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.266123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.266123 (E_RNA)
where:
Base-Base interactions energy: -241.435
where: short stacking energy: -99.304
Base-Backbone interact. energy: -0.012
local terms energy: -121.819113
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -34.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -338.223638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.223638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.223638 (E_RNA)
where:
Base-Base interactions energy: -233.362
where: short stacking energy: -91.620
Base-Backbone interact. energy: 0.253
local terms energy: -105.114450
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -30.236
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: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -343.890107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.890107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.890107 (E_RNA)
where:
Base-Base interactions energy: -230.294
where: short stacking energy: -90.276
Base-Backbone interact. energy: -0.009
local terms energy: -113.587181
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -33.765
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: 135
Temperature: 1.100000
Total energy: -325.761501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.761501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.761501 (E_RNA)
where:
Base-Base interactions energy: -224.392
where: short stacking energy: -87.588
Base-Backbone interact. energy: -0.004
local terms energy: -101.365042
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -30.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -330.396358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.396358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.396358 (E_RNA)
where:
Base-Base interactions energy: -231.193
where: short stacking energy: -91.385
Base-Backbone interact. energy: -0.017
local terms energy: -99.186456
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -29.611
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: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -106.616891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.616891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.616891 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.575
local terms energy: -75.669276
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -108.306312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.306312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.306312 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -23.924
Base-Backbone interact. energy: 0.064
local terms energy: -72.403742
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -106.333752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.333752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.333752 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -23.186
Base-Backbone interact. energy: -0.506
local terms energy: -70.237951
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: 1.544
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: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -102.243120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.243120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.243120 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.023
local terms energy: -70.962481
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -15.131
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: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -364.869493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.869493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.869493 (E_RNA)
where:
Base-Base interactions energy: -242.501
where: short stacking energy: -103.998
Base-Backbone interact. energy: -0.002
local terms energy: -122.365838
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -36.081
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: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -358.763880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.763880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.763880 (E_RNA)
where:
Base-Base interactions energy: -245.740
where: short stacking energy: -104.531
Base-Backbone interact. energy: 0.512
local terms energy: -113.535984
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -352.477265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.477265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.477265 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -97.823
Base-Backbone interact. energy: -0.038
local terms energy: -115.629890
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -341.466075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.466075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.466075 (E_RNA)
where:
Base-Base interactions energy: -234.906
where: short stacking energy: -89.842
Base-Backbone interact. energy: 0.043
local terms energy: -106.603561
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -34.054
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: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -342.758772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.758772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.758772 (E_RNA)
where:
Base-Base interactions energy: -234.494
where: short stacking energy: -92.518
Base-Backbone interact. energy: -0.085
local terms energy: -108.179463
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -32.931
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -319.411131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.411131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.411131 (E_RNA)
where:
Base-Base interactions energy: -216.315
where: short stacking energy: -86.534
Base-Backbone interact. energy: -0.003
local terms energy: -103.092892
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -27.868
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -116.221786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.221786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.221786 (E_RNA)
where:
Base-Base interactions energy: -42.964
where: short stacking energy: -26.713
Base-Backbone interact. energy: -1.080
local terms energy: -72.177655
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -115.592133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.592133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.592133 (E_RNA)
where:
Base-Base interactions energy: -39.447
where: short stacking energy: -36.461
Base-Backbone interact. energy: -1.199
local terms energy: -74.946557
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -7.520
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: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -99.428038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.428038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.428038 (E_RNA)
where:
Base-Base interactions energy: -26.285
where: short stacking energy: -18.452
Base-Backbone interact. energy: 2.691
local terms energy: -75.833816
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -101.866182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866182 (E_RNA)
where:
Base-Base interactions energy: -41.158
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.560
local terms energy: -60.148287
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -1.153
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -361.316368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.316368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.316368 (E_RNA)
where:
Base-Base interactions energy: -238.183
where: short stacking energy: -91.087
Base-Backbone interact. energy: -1.591
local terms energy: -121.542224
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -32.922
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: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -352.791388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.791388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.791388 (E_RNA)
where:
Base-Base interactions energy: -238.036
where: short stacking energy: -95.450
Base-Backbone interact. energy: -0.002
local terms energy: -114.754163
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -353.134990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.134990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.134990 (E_RNA)
where:
Base-Base interactions energy: -246.344
where: short stacking energy: -100.927
Base-Backbone interact. energy: -0.009
local terms energy: -106.782529
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -31.029
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: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -331.342239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.342239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.342239 (E_RNA)
where:
Base-Base interactions energy: -230.503
where: short stacking energy: -89.738
Base-Backbone interact. energy: -0.045
local terms energy: -100.794010
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -27.926
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: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -337.691712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.691712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.691712 (E_RNA)
where:
Base-Base interactions energy: -223.313
where: short stacking energy: -88.631
Base-Backbone interact. energy: -0.018
local terms energy: -114.360208
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -305.393247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.393247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.393247 (E_RNA)
where:
Base-Base interactions energy: -207.431
where: short stacking energy: -78.986
Base-Backbone interact. energy: -0.443
local terms energy: -97.519681
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -25.154
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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -130.778835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.778835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.778835 (E_RNA)
where:
Base-Base interactions energy: -51.249
where: short stacking energy: -47.847
Base-Backbone interact. energy: 1.136
local terms energy: -80.666201
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -15.120
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: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -102.756734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.756734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.756734 (E_RNA)
where:
Base-Base interactions energy: -37.309
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.287
local terms energy: -65.160397
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -123.182205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.182205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.182205 (E_RNA)
where:
Base-Base interactions energy: -51.272
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.407
local terms energy: -71.503172
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -15.812
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -90.757567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.757567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.757567 (E_RNA)
where:
Base-Base interactions energy: -26.358
where: short stacking energy: -22.657
Base-Backbone interact. energy: 0.519
local terms energy: -64.918802
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -369.989686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.989686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.989686 (E_RNA)
where:
Base-Base interactions energy: -252.535
where: short stacking energy: -105.885
Base-Backbone interact. energy: -0.002
local terms energy: -117.453178
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -33.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -360.757319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.757319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.757319 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -104.471
Base-Backbone interact. energy: -0.002
local terms energy: -111.335637
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -34.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -355.287931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.287931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.287931 (E_RNA)
where:
Base-Base interactions energy: -244.198
where: short stacking energy: -100.849
Base-Backbone interact. energy: -0.010
local terms energy: -111.079815
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -352.283102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.283102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.283102 (E_RNA)
where:
Base-Base interactions energy: -238.048
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.232
local terms energy: -114.002692
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -340.552379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.552379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.552379 (E_RNA)
where:
Base-Base interactions energy: -231.482
where: short stacking energy: -98.785
Base-Backbone interact. energy: -0.005
local terms energy: -109.066061
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -25.270
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -33.202
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -341.173681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.173681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.173681 (E_RNA)
where:
Base-Base interactions energy: -223.754
where: short stacking energy: -88.421
Base-Backbone interact. energy: -0.008
local terms energy: -117.412124
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -31.609
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -137.346461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.346461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.346461 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.242
local terms energy: -64.118283
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -10.293
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: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -126.988094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.988094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.988094 (E_RNA)
where:
Base-Base interactions energy: -66.035
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.817
local terms energy: -60.136401
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.975
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: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -96.081115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.081115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.081115 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.711
local terms energy: -51.949847
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.020
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: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -92.376967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376967 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.213
local terms energy: -68.292145
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -357.428226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.428226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.428226 (E_RNA)
where:
Base-Base interactions energy: -244.397
where: short stacking energy: -105.622
Base-Backbone interact. energy: -0.077
local terms energy: -112.953517
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -35.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -352.837684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.837684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.837684 (E_RNA)
where:
Base-Base interactions energy: -240.356
where: short stacking energy: -98.238
Base-Backbone interact. energy: -0.253
local terms energy: -112.228500
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -31.413
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -353.854994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.854994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.854994 (E_RNA)
where:
Base-Base interactions energy: -244.410
where: short stacking energy: -95.224
Base-Backbone interact. energy: -0.003
local terms energy: -109.442146
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -34.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -345.054113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.054113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.054113 (E_RNA)
where:
Base-Base interactions energy: -241.018
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.010
local terms energy: -104.026416
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -343.809361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.809361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.809361 (E_RNA)
where:
Base-Base interactions energy: -237.064
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.401
local terms energy: -106.344648
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -33.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -325.801281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.801281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.801281 (E_RNA)
where:
Base-Base interactions energy: -215.399
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.235
local terms energy: -110.167974
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -28.925
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: 139
Temperature: 1.200000
Total energy: -144.168199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.168199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.168199 (E_RNA)
where:
Base-Base interactions energy: -68.655
where: short stacking energy: -39.376
Base-Backbone interact. energy: -0.533
local terms energy: -74.980593
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.789
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -159.385431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.385431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.385431 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -41.920
Base-Backbone interact. energy: -1.300
local terms energy: -64.725554
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -108.221933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.221933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.221933 (E_RNA)
where:
Base-Base interactions energy: -56.983
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.357
local terms energy: -50.881941
where:
bonds (distance) C4'-P energy: -4.106
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -93.799834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799834 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -29.134
Base-Backbone interact. energy: -0.144
local terms energy: -60.971762
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -7.152
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: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -367.358733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.358733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.358733 (E_RNA)
where:
Base-Base interactions energy: -245.778
where: short stacking energy: -99.181
Base-Backbone interact. energy: -0.070
local terms energy: -121.510759
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -34.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -356.549891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.549891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.549891 (E_RNA)
where:
Base-Base interactions energy: -241.037
where: short stacking energy: -98.543
Base-Backbone interact. energy: -0.036
local terms energy: -115.476651
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -32.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -355.204929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.204929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.204929 (E_RNA)
where:
Base-Base interactions energy: -247.285
where: short stacking energy: -104.755
Base-Backbone interact. energy: -0.192
local terms energy: -107.727843
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -33.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -341.915064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.915064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.915064 (E_RNA)
where:
Base-Base interactions energy: -221.163
where: short stacking energy: -89.210
Base-Backbone interact. energy: -0.018
local terms energy: -120.734007
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -28.977
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: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -329.376134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.376134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.376134 (E_RNA)
where:
Base-Base interactions energy: -232.296
where: short stacking energy: -88.718
Base-Backbone interact. energy: -0.006
local terms energy: -97.073962
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -29.901
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: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -318.955700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.955700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.955700 (E_RNA)
where:
Base-Base interactions energy: -219.025
where: short stacking energy: -90.149
Base-Backbone interact. energy: -0.010
local terms energy: -99.921313
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -222.844108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.844108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.844108 (E_RNA)
where:
Base-Base interactions energy: -136.866
where: short stacking energy: -55.498
Base-Backbone interact. energy: -0.185
local terms energy: -85.793817
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -128.745320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.745320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.745320 (E_RNA)
where:
Base-Base interactions energy: -70.755
where: short stacking energy: -35.836
Base-Backbone interact. energy: 0.479
local terms energy: -58.468666
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -2.199
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: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -97.842901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.842901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.842901 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.395
local terms energy: -63.489076
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: 5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -107.550992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.550992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.550992 (E_RNA)
where:
Base-Base interactions energy: -38.057
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.127
local terms energy: -69.366788
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -362.112333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.112333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.112333 (E_RNA)
where:
Base-Base interactions energy: -245.414
where: short stacking energy: -103.619
Base-Backbone interact. energy: -0.830
local terms energy: -115.868059
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -32.096
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: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -362.112717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.112717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.112717 (E_RNA)
where:
Base-Base interactions energy: -247.925
where: short stacking energy: -103.769
Base-Backbone interact. energy: -0.006
local terms energy: -114.181675
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -33.670
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: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -339.493216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.493216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.493216 (E_RNA)
where:
Base-Base interactions energy: -233.502
where: short stacking energy: -97.151
Base-Backbone interact. energy: -0.167
local terms energy: -105.824022
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -330.680587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.680587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.680587 (E_RNA)
where:
Base-Base interactions energy: -222.020
where: short stacking energy: -84.561
Base-Backbone interact. energy: -0.062
local terms energy: -108.598024
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -27.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -335.946138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.946138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.946138 (E_RNA)
where:
Base-Base interactions energy: -222.916
where: short stacking energy: -81.929
Base-Backbone interact. energy: -0.083
local terms energy: -112.946991
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -28.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -316.675851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.675851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.675851 (E_RNA)
where:
Base-Base interactions energy: -218.293
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.072
local terms energy: -98.310863
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -28.330
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: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -204.098987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098987 (E_RNA)
where:
Base-Base interactions energy: -120.583
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.159
local terms energy: -83.357181
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -112.245397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.245397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.245397 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -34.395
Base-Backbone interact. energy: 0.206
local terms energy: -74.283300
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -14.641
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: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -137.532479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.532479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.532479 (E_RNA)
where:
Base-Base interactions energy: -67.880
where: short stacking energy: -41.670
Base-Backbone interact. energy: -0.632
local terms energy: -69.020373
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.273
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: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -87.752678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752678 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -21.520
Base-Backbone interact. energy: 0.349
local terms energy: -62.939331
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: 6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -361.507507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.507507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.507507 (E_RNA)
where:
Base-Base interactions energy: -243.299
where: short stacking energy: -101.852
Base-Backbone interact. energy: -0.059
local terms energy: -118.148723
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -353.073154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.073154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.073154 (E_RNA)
where:
Base-Base interactions energy: -238.095
where: short stacking energy: -96.502
Base-Backbone interact. energy: 0.030
local terms energy: -115.008349
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -32.606
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: 142
Temperature: 1.000000
Total energy: -348.647622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.647622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.647622 (E_RNA)
where:
Base-Base interactions energy: -235.806
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.275
local terms energy: -112.566993
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -33.411
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: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -339.245298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.245298 (E_RNA)
where:
Base-Base interactions energy: -230.370
where: short stacking energy: -87.712
Base-Backbone interact. energy: -0.088
local terms energy: -108.786922
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -30.074
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: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -327.192028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.192028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.192028 (E_RNA)
where:
Base-Base interactions energy: -223.611
where: short stacking energy: -90.201
Base-Backbone interact. energy: -0.021
local terms energy: -103.559991
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -30.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -307.749312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.749312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.749312 (E_RNA)
where:
Base-Base interactions energy: -205.486
where: short stacking energy: -80.354
Base-Backbone interact. energy: -0.196
local terms energy: -102.067585
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -201.104890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.104890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.104890 (E_RNA)
where:
Base-Base interactions energy: -118.749
where: short stacking energy: -62.121
Base-Backbone interact. energy: -2.173
local terms energy: -80.183844
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -10.870
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: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -106.999632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.999632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.999632 (E_RNA)
where:
Base-Base interactions energy: -31.142
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.105
local terms energy: -75.752170
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -108.220641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.220641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.220641 (E_RNA)
where:
Base-Base interactions energy: -51.603
where: short stacking energy: -27.737
Base-Backbone interact. energy: 1.012
local terms energy: -57.629292
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -101.852217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.852217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.852217 (E_RNA)
where:
Base-Base interactions energy: -45.628
where: short stacking energy: -30.634
Base-Backbone interact. energy: -0.183
local terms energy: -56.041245
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.152
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: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -362.323249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.323249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.323249 (E_RNA)
where:
Base-Base interactions energy: -244.242
where: short stacking energy: -103.834
Base-Backbone interact. energy: 0.244
local terms energy: -118.325433
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -351.441548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.441548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.441548 (E_RNA)
where:
Base-Base interactions energy: -241.597
where: short stacking energy: -99.322
Base-Backbone interact. energy: -0.005
local terms energy: -109.839154
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -347.019897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.019897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.019897 (E_RNA)
where:
Base-Base interactions energy: -239.058
where: short stacking energy: -104.999
Base-Backbone interact. energy: -0.090
local terms energy: -107.872280
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -326.539162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.539162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.539162 (E_RNA)
where:
Base-Base interactions energy: -210.672
where: short stacking energy: -90.259
Base-Backbone interact. energy: -0.037
local terms energy: -115.830909
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -34.260
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: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -323.398852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.398852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.398852 (E_RNA)
where:
Base-Base interactions energy: -215.927
where: short stacking energy: -88.287
Base-Backbone interact. energy: -0.100
local terms energy: -107.371547
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -29.970
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -303.541726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.541726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.541726 (E_RNA)
where:
Base-Base interactions energy: -216.333
where: short stacking energy: -75.796
Base-Backbone interact. energy: 0.113
local terms energy: -87.321347
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -22.109
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -210.705406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.705406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.705406 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -54.181
Base-Backbone interact. energy: -1.107
local terms energy: -84.748890
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -117.721578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.721578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.721578 (E_RNA)
where:
Base-Base interactions energy: -50.324
where: short stacking energy: -18.509
Base-Backbone interact. energy: 1.504
local terms energy: -68.901994
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -94.509528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509528 (E_RNA)
where:
Base-Base interactions energy: -22.743
where: short stacking energy: -20.755
Base-Backbone interact. energy: -0.379
local terms energy: -71.388155
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: 0.106
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: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -117.938386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.938386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.938386 (E_RNA)
where:
Base-Base interactions energy: -56.990
where: short stacking energy: -30.435
Base-Backbone interact. energy: 0.708
local terms energy: -61.656834
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -12.945
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: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -363.111864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.111864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.111864 (E_RNA)
where:
Base-Base interactions energy: -246.163
where: short stacking energy: -99.396
Base-Backbone interact. energy: -0.001
local terms energy: -116.947596
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -21.912
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -34.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -354.966236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.966236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.966236 (E_RNA)
where:
Base-Base interactions energy: -242.209
where: short stacking energy: -95.680
Base-Backbone interact. energy: -0.001
local terms energy: -112.755900
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -32.144
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: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -355.966932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.966932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.966932 (E_RNA)
where:
Base-Base interactions energy: -245.648
where: short stacking energy: -98.076
Base-Backbone interact. energy: -0.001
local terms energy: -110.318122
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -32.974
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -320.555536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.555536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.555536 (E_RNA)
where:
Base-Base interactions energy: -219.101
where: short stacking energy: -80.015
Base-Backbone interact. energy: -1.170
local terms energy: -100.284779
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -26.766
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: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -353.669201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.669201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.669201 (E_RNA)
where:
Base-Base interactions energy: -244.503
where: short stacking energy: -101.803
Base-Backbone interact. energy: 0.778
local terms energy: -109.944321
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -32.620
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: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -341.936512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.936512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.936512 (E_RNA)
where:
Base-Base interactions energy: -225.786
where: short stacking energy: -95.007
Base-Backbone interact. energy: -0.014
local terms energy: -116.135838
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -33.685
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -151.532048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.532048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.532048 (E_RNA)
where:
Base-Base interactions energy: -71.956
where: short stacking energy: -38.885
Base-Backbone interact. energy: 0.803
local terms energy: -80.379085
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -188.184948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.184948 (E_RNA)
where:
Base-Base interactions energy: -100.805
where: short stacking energy: -45.001
Base-Backbone interact. energy: -1.375
local terms energy: -86.004610
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -100.292891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292891 (E_RNA)
where:
Base-Base interactions energy: -28.674
where: short stacking energy: -28.674
Base-Backbone interact. energy: 1.776
local terms energy: -73.395179
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -3.524
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: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -96.083249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.083249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.083249 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -13.118
Base-Backbone interact. energy: -1.320
local terms energy: -62.489980
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: 2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -358.670277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.670277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.670277 (E_RNA)
where:
Base-Base interactions energy: -245.591
where: short stacking energy: -103.858
Base-Backbone interact. energy: -0.569
local terms energy: -112.509870
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -34.501
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: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -356.650797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.650797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.650797 (E_RNA)
where:
Base-Base interactions energy: -238.902
where: short stacking energy: -102.372
Base-Backbone interact. energy: -0.008
local terms energy: -117.740219
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -32.857
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: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -341.676224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.676224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.676224 (E_RNA)
where:
Base-Base interactions energy: -231.918
where: short stacking energy: -92.799
Base-Backbone interact. energy: -0.001
local terms energy: -109.756957
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -34.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -345.039389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.039389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.039389 (E_RNA)
where:
Base-Base interactions energy: -232.845
where: short stacking energy: -93.251
Base-Backbone interact. energy: 0.335
local terms energy: -112.529653
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -29.958
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: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -327.144050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.144050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.144050 (E_RNA)
where:
Base-Base interactions energy: -216.098
where: short stacking energy: -87.090
Base-Backbone interact. energy: -0.031
local terms energy: -111.015499
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -33.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -324.745393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.745393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.745393 (E_RNA)
where:
Base-Base interactions energy: -220.898
where: short stacking energy: -85.549
Base-Backbone interact. energy: -0.166
local terms energy: -103.682054
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -29.705
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -176.378628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378628 (E_RNA)
where:
Base-Base interactions energy: -93.534
where: short stacking energy: -54.919
Base-Backbone interact. energy: -0.836
local terms energy: -82.008448
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -206.407855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.407855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.407855 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.203
local terms energy: -86.731266
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -114.359346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.359346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.359346 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -39.272
Base-Backbone interact. energy: -0.069
local terms energy: -74.307078
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -9.524
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -99.459861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.459861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.459861 (E_RNA)
where:
Base-Base interactions energy: -47.507
where: short stacking energy: -30.069
Base-Backbone interact. energy: 3.351
local terms energy: -55.304037
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -1.797
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -367.675651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.675651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.675651 (E_RNA)
where:
Base-Base interactions energy: -250.487
where: short stacking energy: -104.398
Base-Backbone interact. energy: -0.874
local terms energy: -116.314268
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -33.510
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -356.461369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.461369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.461369 (E_RNA)
where:
Base-Base interactions energy: -243.495
where: short stacking energy: -95.634
Base-Backbone interact. energy: -0.003
local terms energy: -112.962638
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -31.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -348.858598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.858598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.858598 (E_RNA)
where:
Base-Base interactions energy: -231.994
where: short stacking energy: -94.403
Base-Backbone interact. energy: -0.353
local terms energy: -116.511545
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -346.482857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.482857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.482857 (E_RNA)
where:
Base-Base interactions energy: -234.889
where: short stacking energy: -91.660
Base-Backbone interact. energy: 0.237
local terms energy: -111.831525
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -30.479
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: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -311.378680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.378680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.378680 (E_RNA)
where:
Base-Base interactions energy: -209.921
where: short stacking energy: -87.437
Base-Backbone interact. energy: -0.010
local terms energy: -101.448302
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -28.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -340.016000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.016000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.016000 (E_RNA)
where:
Base-Base interactions energy: -224.954
where: short stacking energy: -89.479
Base-Backbone interact. energy: -0.063
local terms energy: -114.999156
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -30.903
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -200.679122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.679122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.679122 (E_RNA)
where:
Base-Base interactions energy: -114.550
where: short stacking energy: -44.108
Base-Backbone interact. energy: -0.276
local terms energy: -85.852512
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -152.749024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.749024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.749024 (E_RNA)
where:
Base-Base interactions energy: -86.451
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.279
local terms energy: -66.019491
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -108.012880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.012880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.012880 (E_RNA)
where:
Base-Base interactions energy: -27.422
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.607
local terms energy: -79.984473
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -100.749974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.749974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.749974 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -14.174
Base-Backbone interact. energy: -0.416
local terms energy: -61.509736
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: 5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -361.337230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.337230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.337230 (E_RNA)
where:
Base-Base interactions energy: -239.376
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.016
local terms energy: -121.945374
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -32.159
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: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -357.592240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.592240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.592240 (E_RNA)
where:
Base-Base interactions energy: -244.048
where: short stacking energy: -93.195
Base-Backbone interact. energy: -0.209
local terms energy: -113.334887
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -31.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -355.338209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.338209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.338209 (E_RNA)
where:
Base-Base interactions energy: -243.823
where: short stacking energy: -100.546
Base-Backbone interact. energy: -0.222
local terms energy: -111.292457
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -33.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -331.145427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.145427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.145427 (E_RNA)
where:
Base-Base interactions energy: -229.814
where: short stacking energy: -83.999
Base-Backbone interact. energy: -0.042
local terms energy: -101.289974
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -319.251011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.251011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.251011 (E_RNA)
where:
Base-Base interactions energy: -219.358
where: short stacking energy: -85.135
Base-Backbone interact. energy: -0.190
local terms energy: -99.702762
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -27.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -343.017918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.017918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.017918 (E_RNA)
where:
Base-Base interactions energy: -236.329
where: short stacking energy: -89.211
Base-Backbone interact. energy: -0.050
local terms energy: -106.639090
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -202.825074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.825074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.825074 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -47.900
Base-Backbone interact. energy: -0.055
local terms energy: -75.705862
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -10.708
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: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -165.527209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.527209 (E_RNA)
where:
Base-Base interactions energy: -95.746
where: short stacking energy: -27.164
Base-Backbone interact. energy: 4.141
local terms energy: -73.921757
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -119.675343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.675343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.675343 (E_RNA)
where:
Base-Base interactions energy: -55.898
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.039
local terms energy: -63.738451
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -96.902401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.902401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.902401 (E_RNA)
where:
Base-Base interactions energy: -23.834
where: short stacking energy: -16.187
Base-Backbone interact. energy: 0.119
local terms energy: -73.187152
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: 5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -368.631699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.631699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.631699 (E_RNA)
where:
Base-Base interactions energy: -249.008
where: short stacking energy: -109.385
Base-Backbone interact. energy: -0.135
local terms energy: -119.488662
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -37.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -361.593787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.593787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.593787 (E_RNA)
where:
Base-Base interactions energy: -239.244
where: short stacking energy: -99.732
Base-Backbone interact. energy: -0.043
local terms energy: -122.307021
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -35.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -348.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.097139 (E_RNA)
where:
Base-Base interactions energy: -238.795
where: short stacking energy: -95.023
Base-Backbone interact. energy: -0.001
local terms energy: -109.300994
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -31.947
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: 148
Temperature: 1.050000
Total energy: -342.389501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.389501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.389501 (E_RNA)
where:
Base-Base interactions energy: -234.384
where: short stacking energy: -94.348
Base-Backbone interact. energy: -0.052
local terms energy: -107.953991
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -334.039659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.039659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.039659 (E_RNA)
where:
Base-Base interactions energy: -223.987
where: short stacking energy: -84.943
Base-Backbone interact. energy: -0.012
local terms energy: -110.041087
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -327.885902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.885902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.885902 (E_RNA)
where:
Base-Base interactions energy: -222.462
where: short stacking energy: -91.855
Base-Backbone interact. energy: 0.935
local terms energy: -106.359352
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -165.613307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613307 (E_RNA)
where:
Base-Base interactions energy: -90.113
where: short stacking energy: -48.946
Base-Backbone interact. energy: -0.507
local terms energy: -74.993571
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -12.547
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: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -190.980991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980991 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.632
local terms energy: -77.588671
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -110.639603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.639603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.639603 (E_RNA)
where:
Base-Base interactions energy: -36.502
where: short stacking energy: -17.320
Base-Backbone interact. energy: -0.022
local terms energy: -74.115191
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -101.947389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.947389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.947389 (E_RNA)
where:
Base-Base interactions energy: -48.501
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.484
local terms energy: -52.963009
where:
bonds (distance) C4'-P energy: -2.137
bonds (distance) P-C4' energy: -23.985
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -366.610991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.610991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.610991 (E_RNA)
where:
Base-Base interactions energy: -255.196
where: short stacking energy: -104.770
Base-Backbone interact. energy: -0.003
local terms energy: -111.412140
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -35.462
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: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -351.203062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.203062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.203062 (E_RNA)
where:
Base-Base interactions energy: -239.404
where: short stacking energy: -91.254
Base-Backbone interact. energy: -0.084
local terms energy: -111.715303
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -356.852258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.852258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.852258 (E_RNA)
where:
Base-Base interactions energy: -243.331
where: short stacking energy: -103.439
Base-Backbone interact. energy: -0.001
local terms energy: -113.520212
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -342.831534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.831534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.831534 (E_RNA)
where:
Base-Base interactions energy: -237.428
where: short stacking energy: -84.619
Base-Backbone interact. energy: -0.049
local terms energy: -105.353791
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -346.526331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.526331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.526331 (E_RNA)
where:
Base-Base interactions energy: -241.193
where: short stacking energy: -99.552
Base-Backbone interact. energy: -0.267
local terms energy: -105.066761
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -33.157
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: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -323.974572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.974572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.974572 (E_RNA)
where:
Base-Base interactions energy: -220.924
where: short stacking energy: -84.649
Base-Backbone interact. energy: -1.055
local terms energy: -101.995283
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -144.212688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.212688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.212688 (E_RNA)
where:
Base-Base interactions energy: -79.986
where: short stacking energy: -42.937
Base-Backbone interact. energy: -0.248
local terms energy: -63.978403
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -202.252779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.252779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.252779 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.920
local terms energy: -73.448140
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -96.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.268497 (E_RNA)
where:
Base-Base interactions energy: -36.571
where: short stacking energy: -24.929
Base-Backbone interact. energy: -0.948
local terms energy: -58.749905
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: 4.666
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: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -106.637855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637855 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -29.981
Base-Backbone interact. energy: -1.003
local terms energy: -72.163342
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -12.297
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: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -363.484360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.484360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.484360 (E_RNA)
where:
Base-Base interactions energy: -244.035
where: short stacking energy: -100.231
Base-Backbone interact. energy: -0.433
local terms energy: -119.016266
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -33.911
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: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -360.598054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.598054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.598054 (E_RNA)
where:
Base-Base interactions energy: -245.926
where: short stacking energy: -101.455
Base-Backbone interact. energy: -1.059
local terms energy: -113.613407
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -34.972
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: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -352.766970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.766970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.766970 (E_RNA)
where:
Base-Base interactions energy: -240.367
where: short stacking energy: -97.501
Base-Backbone interact. energy: -0.011
local terms energy: -112.388989
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -344.675057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.675057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.675057 (E_RNA)
where:
Base-Base interactions energy: -226.747
where: short stacking energy: -93.648
Base-Backbone interact. energy: -0.024
local terms energy: -117.903366
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -33.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -327.508870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.508870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.508870 (E_RNA)
where:
Base-Base interactions energy: -220.182
where: short stacking energy: -85.893
Base-Backbone interact. energy: -0.019
local terms energy: -107.308034
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -31.537
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: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -297.116237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.116237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.116237 (E_RNA)
where:
Base-Base interactions energy: -196.498
where: short stacking energy: -80.169
Base-Backbone interact. energy: -0.145
local terms energy: -100.473366
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -30.203
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: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -231.651516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.651516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.651516 (E_RNA)
where:
Base-Base interactions energy: -139.316
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.150
local terms energy: -92.185802
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -115.040752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.040752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.040752 (E_RNA)
where:
Base-Base interactions energy: -57.533
where: short stacking energy: -21.905
Base-Backbone interact. energy: -0.296
local terms energy: -57.211828
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: 3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -94.646854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.646854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.646854 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -26.246
Base-Backbone interact. energy: -0.497
local terms energy: -52.537039
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -85.372390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.372390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.372390 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -14.444
Base-Backbone interact. energy: -0.629
local terms energy: -63.921569
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -9.765
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -369.699321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.699321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.699321 (E_RNA)
where:
Base-Base interactions energy: -253.455
where: short stacking energy: -99.146
Base-Backbone interact. energy: -0.053
local terms energy: -116.192070
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -358.254588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.254588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.254588 (E_RNA)
where:
Base-Base interactions energy: -237.502
where: short stacking energy: -93.448
Base-Backbone interact. energy: -0.104
local terms energy: -120.647783
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -35.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -350.423791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.423791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.423791 (E_RNA)
where:
Base-Base interactions energy: -241.882
where: short stacking energy: -103.479
Base-Backbone interact. energy: 0.034
local terms energy: -108.575458
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -35.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -336.816605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.816605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.816605 (E_RNA)
where:
Base-Base interactions energy: -231.170
where: short stacking energy: -89.388
Base-Backbone interact. energy: 1.314
local terms energy: -106.960973
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -31.124
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: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -329.260148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.260148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.260148 (E_RNA)
where:
Base-Base interactions energy: -224.053
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.004
local terms energy: -105.202669
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -32.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -327.267251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.267251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.267251 (E_RNA)
where:
Base-Base interactions energy: -217.616
where: short stacking energy: -80.921
Base-Backbone interact. energy: -0.014
local terms energy: -109.636759
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -32.171
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: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -216.006058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006058 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.167
local terms energy: -81.665203
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -15.626
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: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -103.052478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.052478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.052478 (E_RNA)
where:
Base-Base interactions energy: -29.668
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.492
local terms energy: -72.892486
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -126.959460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.959460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.959460 (E_RNA)
where:
Base-Base interactions energy: -54.160
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.765
local terms energy: -72.033566
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: 2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -107.545214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.545214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.545214 (E_RNA)
where:
Base-Base interactions energy: -56.264
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.129
local terms energy: -51.151581
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -4.342
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: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -362.619749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.619749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.619749 (E_RNA)
where:
Base-Base interactions energy: -246.982
where: short stacking energy: -100.355
Base-Backbone interact. energy: -0.003
local terms energy: -115.634717
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -31.914
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: 152
Temperature: 0.950000
Total energy: -363.574897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.574897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.574897 (E_RNA)
where:
Base-Base interactions energy: -248.756
where: short stacking energy: -102.045
Base-Backbone interact. energy: -0.010
local terms energy: -114.809134
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -32.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -356.572855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.572855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.572855 (E_RNA)
where:
Base-Base interactions energy: -236.099
where: short stacking energy: -96.855
Base-Backbone interact. energy: -1.023
local terms energy: -119.451190
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -344.988282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.988282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.988282 (E_RNA)
where:
Base-Base interactions energy: -232.787
where: short stacking energy: -95.832
Base-Backbone interact. energy: -0.005
local terms energy: -112.196408
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -326.451220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.451220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.451220 (E_RNA)
where:
Base-Base interactions energy: -225.776
where: short stacking energy: -89.987
Base-Backbone interact. energy: -0.123
local terms energy: -100.551596
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -312.868171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.868171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.868171 (E_RNA)
where:
Base-Base interactions energy: -216.410
where: short stacking energy: -81.792
Base-Backbone interact. energy: 0.538
local terms energy: -96.995776
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -27.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -229.481333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.481333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.481333 (E_RNA)
where:
Base-Base interactions energy: -144.226
where: short stacking energy: -61.426
Base-Backbone interact. energy: 0.505
local terms energy: -85.760101
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -119.216730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.216730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.216730 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -31.792
Base-Backbone interact. energy: -1.175
local terms energy: -81.380897
where:
bonds (distance) C4'-P energy: -22.986
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -18.501
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: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -94.154717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.154717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.154717 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -21.403
Base-Backbone interact. energy: -0.611
local terms energy: -60.899624
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: 6.401
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: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -92.253556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.253556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.253556 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -24.346
Base-Backbone interact. energy: 1.230
local terms energy: -56.621670
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -366.028870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.028870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.028870 (E_RNA)
where:
Base-Base interactions energy: -253.184
where: short stacking energy: -99.603
Base-Backbone interact. energy: 0.460
local terms energy: -113.304821
where:
bonds (distance) C4'-P energy: -24.285
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -34.390
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -349.602665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.602665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.602665 (E_RNA)
where:
Base-Base interactions energy: -238.175
where: short stacking energy: -94.733
Base-Backbone interact. energy: -0.025
local terms energy: -111.401871
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -34.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -353.267822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.267822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.267822 (E_RNA)
where:
Base-Base interactions energy: -234.874
where: short stacking energy: -93.708
Base-Backbone interact. energy: -0.035
local terms energy: -118.359068
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -32.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -340.674854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.674854 (E_RNA)
where:
Base-Base interactions energy: -235.715
where: short stacking energy: -102.013
Base-Backbone interact. energy: -0.021
local terms energy: -104.939192
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -332.484655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.484655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.484655 (E_RNA)
where:
Base-Base interactions energy: -222.983
where: short stacking energy: -89.276
Base-Backbone interact. energy: -0.002
local terms energy: -109.499932
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -334.021170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.021170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.021170 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -95.607
Base-Backbone interact. energy: 0.092
local terms energy: -111.744930
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -254.922450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.922450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.922450 (E_RNA)
where:
Base-Base interactions energy: -163.824
where: short stacking energy: -54.731
Base-Backbone interact. energy: -1.063
local terms energy: -90.035197
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -11.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -106.863356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.863356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.863356 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -34.713
Base-Backbone interact. energy: -0.210
local terms energy: -67.357718
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -107.858467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.858467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.858467 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -24.844
Base-Backbone interact. energy: -1.447
local terms energy: -72.090898
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.716
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -112.686199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.686199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.686199 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.612
local terms energy: -73.937075
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -359.841609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.841609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.841609 (E_RNA)
where:
Base-Base interactions energy: -246.204
where: short stacking energy: -100.385
Base-Backbone interact. energy: -0.013
local terms energy: -113.624829
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -33.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -357.731263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.731263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.731263 (E_RNA)
where:
Base-Base interactions energy: -247.118
where: short stacking energy: -107.906
Base-Backbone interact. energy: -0.027
local terms energy: -110.586551
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -33.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -346.406545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.406545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.406545 (E_RNA)
where:
Base-Base interactions energy: -243.835
where: short stacking energy: -94.617
Base-Backbone interact. energy: -0.067
local terms energy: -102.505136
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -30.415
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -344.676486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.676486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.676486 (E_RNA)
where:
Base-Base interactions energy: -231.024
where: short stacking energy: -95.819
Base-Backbone interact. energy: -1.516
local terms energy: -112.137158
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -34.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -344.146820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.146820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.146820 (E_RNA)
where:
Base-Base interactions energy: -233.275
where: short stacking energy: -96.561
Base-Backbone interact. energy: -0.317
local terms energy: -110.554875
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -32.257
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: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -309.819716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.819716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.819716 (E_RNA)
where:
Base-Base interactions energy: -209.936
where: short stacking energy: -83.674
Base-Backbone interact. energy: 0.434
local terms energy: -100.318428
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -29.384
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: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -286.097023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.097023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.097023 (E_RNA)
where:
Base-Base interactions energy: -192.411
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.464
local terms energy: -93.221734
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -105.368648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.368648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.368648 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -22.508
Base-Backbone interact. energy: 0.002
local terms energy: -69.056294
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -15.106
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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -101.921808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.921808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.921808 (E_RNA)
where:
Base-Base interactions energy: -33.966
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.114
local terms energy: -67.841561
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: 6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -107.666376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.666376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.666376 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -34.136
Base-Backbone interact. energy: 0.026
local terms energy: -62.402421
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -5.001
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: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -358.695126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.695126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.695126 (E_RNA)
where:
Base-Base interactions energy: -236.845
where: short stacking energy: -93.930
Base-Backbone interact. energy: -0.013
local terms energy: -121.837674
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -34.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -354.707169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.707169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.707169 (E_RNA)
where:
Base-Base interactions energy: -243.331
where: short stacking energy: -100.909
Base-Backbone interact. energy: -0.001
local terms energy: -111.375237
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -348.167526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.167526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.167526 (E_RNA)
where:
Base-Base interactions energy: -242.527
where: short stacking energy: -102.325
Base-Backbone interact. energy: -0.613
local terms energy: -105.027079
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -32.752
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -350.938854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.938854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.938854 (E_RNA)
where:
Base-Base interactions energy: -242.343
where: short stacking energy: -102.474
Base-Backbone interact. energy: -0.002
local terms energy: -108.594038
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -352.780558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.780558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.780558 (E_RNA)
where:
Base-Base interactions energy: -240.825
where: short stacking energy: -96.994
Base-Backbone interact. energy: -0.495
local terms energy: -111.460285
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -32.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -272.092255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.092255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.092255 (E_RNA)
where:
Base-Base interactions energy: -175.936
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.061
local terms energy: -96.095468
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -295.424643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.424643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.424643 (E_RNA)
where:
Base-Base interactions energy: -206.826
where: short stacking energy: -80.264
Base-Backbone interact. energy: 0.022
local terms energy: -88.621063
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -123.302052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.302052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.302052 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -33.942
Base-Backbone interact. energy: -1.634
local terms energy: -64.015784
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -97.731931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.731931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.731931 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -28.942
Base-Backbone interact. energy: 0.747
local terms energy: -69.099504
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -92.532569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.532569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.532569 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.512
local terms energy: -61.948985
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: 4.924
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: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -360.761578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.761578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.761578 (E_RNA)
where:
Base-Base interactions energy: -250.294
where: short stacking energy: -100.876
Base-Backbone interact. energy: -0.045
local terms energy: -110.422986
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -33.690
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: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -357.057034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.057034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.057034 (E_RNA)
where:
Base-Base interactions energy: -248.120
where: short stacking energy: -97.355
Base-Backbone interact. energy: -0.240
local terms energy: -108.697194
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -31.600
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: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -348.310305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.310305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.310305 (E_RNA)
where:
Base-Base interactions energy: -235.776
where: short stacking energy: -98.854
Base-Backbone interact. energy: -0.185
local terms energy: -112.349363
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -31.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -336.560855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.560855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.560855 (E_RNA)
where:
Base-Base interactions energy: -231.105
where: short stacking energy: -88.174
Base-Backbone interact. energy: -0.080
local terms energy: -105.376471
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -336.623952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.623952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.623952 (E_RNA)
where:
Base-Base interactions energy: -235.444
where: short stacking energy: -94.833
Base-Backbone interact. energy: -0.066
local terms energy: -101.113498
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -30.998
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: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -258.225081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.225081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.225081 (E_RNA)
where:
Base-Base interactions energy: -164.969
where: short stacking energy: -72.750
Base-Backbone interact. energy: -1.219
local terms energy: -92.036941
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -298.380124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.380124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.380124 (E_RNA)
where:
Base-Base interactions energy: -202.090
where: short stacking energy: -79.466
Base-Backbone interact. energy: 0.209
local terms energy: -96.499536
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -24.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -202.045019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.045019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.045019 (E_RNA)
where:
Base-Base interactions energy: -121.197
where: short stacking energy: -50.189
Base-Backbone interact. energy: 0.390
local terms energy: -81.238187
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -104.504791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.504791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.504791 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -28.789
Base-Backbone interact. energy: -1.000
local terms energy: -73.407573
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -1.638
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -97.734459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734459 (E_RNA)
where:
Base-Base interactions energy: -27.866
where: short stacking energy: -18.630
Base-Backbone interact. energy: -0.658
local terms energy: -69.210859
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -356.924945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.924945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.924945 (E_RNA)
where:
Base-Base interactions energy: -242.423
where: short stacking energy: -93.969
Base-Backbone interact. energy: 0.285
local terms energy: -114.786902
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -31.545
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: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -361.971612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.971612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.971612 (E_RNA)
where:
Base-Base interactions energy: -246.743
where: short stacking energy: -98.877
Base-Backbone interact. energy: -0.094
local terms energy: -115.134214
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -34.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -352.373541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.373541 (E_RNA)
where:
Base-Base interactions energy: -241.142
where: short stacking energy: -98.525
Base-Backbone interact. energy: -0.401
local terms energy: -110.830596
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -358.175419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.175419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.175419 (E_RNA)
where:
Base-Base interactions energy: -244.628
where: short stacking energy: -96.218
Base-Backbone interact. energy: -0.115
local terms energy: -113.432591
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -33.877
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -325.813901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.813901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.813901 (E_RNA)
where:
Base-Base interactions energy: -223.596
where: short stacking energy: -89.943
Base-Backbone interact. energy: 0.611
local terms energy: -102.828367
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -314.136413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.136413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.136413 (E_RNA)
where:
Base-Base interactions energy: -215.962
where: short stacking energy: -82.309
Base-Backbone interact. energy: -0.150
local terms energy: -98.024003
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -24.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -268.355963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.355963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.355963 (E_RNA)
where:
Base-Base interactions energy: -167.750
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.067
local terms energy: -100.539210
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -223.353135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.353135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.353135 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -59.886
Base-Backbone interact. energy: 0.487
local terms energy: -75.852937
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -112.761170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.761170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.761170 (E_RNA)
where:
Base-Base interactions energy: -43.293
where: short stacking energy: -32.105
Base-Backbone interact. energy: -1.214
local terms energy: -68.254233
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -12.768
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: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -90.488448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488448 (E_RNA)
where:
Base-Base interactions energy: -26.445
where: short stacking energy: -20.573
Base-Backbone interact. energy: -0.167
local terms energy: -63.876876
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -372.194251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.194251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.194251 (E_RNA)
where:
Base-Base interactions energy: -247.627
where: short stacking energy: -104.049
Base-Backbone interact. energy: -0.103
local terms energy: -124.463737
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -34.746
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -361.818496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.818496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.818496 (E_RNA)
where:
Base-Base interactions energy: -241.263
where: short stacking energy: -100.104
Base-Backbone interact. energy: -0.016
local terms energy: -120.539592
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -359.637641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.637641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.637641 (E_RNA)
where:
Base-Base interactions energy: -241.606
where: short stacking energy: -97.712
Base-Backbone interact. energy: -0.364
local terms energy: -117.667542
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -37.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -350.415256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.415256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.415256 (E_RNA)
where:
Base-Base interactions energy: -232.571
where: short stacking energy: -97.086
Base-Backbone interact. energy: -0.042
local terms energy: -117.803060
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -35.032
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: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -308.467040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.467040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.467040 (E_RNA)
where:
Base-Base interactions energy: -209.964
where: short stacking energy: -89.485
Base-Backbone interact. energy: -0.040
local terms energy: -98.462777
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -329.926159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.926159 (E_RNA)
where:
Base-Base interactions energy: -222.117
where: short stacking energy: -90.121
Base-Backbone interact. energy: -0.232
local terms energy: -107.577075
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -31.944
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: 158
Temperature: 1.200000
Total energy: -276.671049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.671049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.671049 (E_RNA)
where:
Base-Base interactions energy: -195.515
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.203
local terms energy: -80.952313
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -243.472514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.472514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.472514 (E_RNA)
where:
Base-Base interactions energy: -154.476
where: short stacking energy: -62.761
Base-Backbone interact. energy: 0.390
local terms energy: -89.386911
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -131.095779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.095779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.095779 (E_RNA)
where:
Base-Base interactions energy: -60.761
where: short stacking energy: -32.828
Base-Backbone interact. energy: -0.286
local terms energy: -70.049652
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -10.253
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -92.875436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.875436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.875436 (E_RNA)
where:
Base-Base interactions energy: -24.653
where: short stacking energy: -22.399
Base-Backbone interact. energy: -0.618
local terms energy: -67.603594
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -369.860489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.860489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.860489 (E_RNA)
where:
Base-Base interactions energy: -249.999
where: short stacking energy: -104.454
Base-Backbone interact. energy: -0.014
local terms energy: -119.847313
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -34.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -345.161531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.161531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.161531 (E_RNA)
where:
Base-Base interactions energy: -229.608
where: short stacking energy: -90.828
Base-Backbone interact. energy: -0.118
local terms energy: -115.435271
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -353.089888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.089888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.089888 (E_RNA)
where:
Base-Base interactions energy: -242.096
where: short stacking energy: -103.434
Base-Backbone interact. energy: -0.606
local terms energy: -110.387270
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -32.203
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -335.586243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.586243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.586243 (E_RNA)
where:
Base-Base interactions energy: -222.393
where: short stacking energy: -83.292
Base-Backbone interact. energy: -0.407
local terms energy: -112.785728
where:
bonds (distance) C4'-P energy: -23.015
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -315.899480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.899480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.899480 (E_RNA)
where:
Base-Base interactions energy: -221.423
where: short stacking energy: -85.239
Base-Backbone interact. energy: -0.107
local terms energy: -94.368881
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -26.115
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: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -327.788407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.788407 (E_RNA)
where:
Base-Base interactions energy: -220.981
where: short stacking energy: -86.254
Base-Backbone interact. energy: -0.002
local terms energy: -106.805662
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -329.479459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.479459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.479459 (E_RNA)
where:
Base-Base interactions energy: -231.868
where: short stacking energy: -88.228
Base-Backbone interact. energy: -0.003
local terms energy: -97.608549
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -253.424878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.424878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.424878 (E_RNA)
where:
Base-Base interactions energy: -169.186
where: short stacking energy: -80.281
Base-Backbone interact. energy: -0.107
local terms energy: -84.131780
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -22.161
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -100.613790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.613790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.613790 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -25.074
Base-Backbone interact. energy: -1.437
local terms energy: -62.025454
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.975
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: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -92.493365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.493365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.493365 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -18.305
Base-Backbone interact. energy: 0.152
local terms energy: -67.628045
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.824
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: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -349.630081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.630081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.630081 (E_RNA)
where:
Base-Base interactions energy: -239.544
where: short stacking energy: -93.545
Base-Backbone interact. energy: -0.156
local terms energy: -109.929854
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -32.051
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: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -356.412155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.412155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.412155 (E_RNA)
where:
Base-Base interactions energy: -246.057
where: short stacking energy: -98.772
Base-Backbone interact. energy: -0.008
local terms energy: -110.347159
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -30.571
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: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -347.685762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.685762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.685762 (E_RNA)
where:
Base-Base interactions energy: -232.515
where: short stacking energy: -93.065
Base-Backbone interact. energy: -0.090
local terms energy: -115.080986
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -31.707
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -347.771377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.771377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.771377 (E_RNA)
where:
Base-Base interactions energy: -239.426
where: short stacking energy: -88.997
Base-Backbone interact. energy: -0.470
local terms energy: -107.875626
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -22.171
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -30.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -329.958304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.958304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.958304 (E_RNA)
where:
Base-Base interactions energy: -218.493
where: short stacking energy: -85.786
Base-Backbone interact. energy: -0.027
local terms energy: -111.438357
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -30.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -316.692486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.692486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.692486 (E_RNA)
where:
Base-Base interactions energy: -213.371
where: short stacking energy: -89.467
Base-Backbone interact. energy: -0.013
local terms energy: -103.307656
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -333.625793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.625793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.625793 (E_RNA)
where:
Base-Base interactions energy: -232.546
where: short stacking energy: -94.084
Base-Backbone interact. energy: -0.103
local terms energy: -100.977349
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -28.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -249.085099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.085099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.085099 (E_RNA)
where:
Base-Base interactions energy: -158.144
where: short stacking energy: -75.778
Base-Backbone interact. energy: -0.066
local terms energy: -90.875050
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -23.627
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -155.014983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.014983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.014983 (E_RNA)
where:
Base-Base interactions energy: -79.952
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.429
local terms energy: -74.634020
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -14.788
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: 160
Temperature: 1.350000
Total energy: -91.075553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.075553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.075553 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -22.216
Base-Backbone interact. energy: -0.532
local terms energy: -58.611009
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: 4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -366.159691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.159691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.159691 (E_RNA)
where:
Base-Base interactions energy: -253.128
where: short stacking energy: -101.819
Base-Backbone interact. energy: 0.232
local terms energy: -113.263321
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -33.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -353.132606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.132606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.132606 (E_RNA)
where:
Base-Base interactions energy: -245.095
where: short stacking energy: -99.109
Base-Backbone interact. energy: -0.697
local terms energy: -107.340526
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -29.569
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -358.118219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.118219 (E_RNA)
where:
Base-Base interactions energy: -239.270
where: short stacking energy: -104.442
Base-Backbone interact. energy: 0.202
local terms energy: -119.049964
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -31.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -338.720406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.720406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.720406 (E_RNA)
where:
Base-Base interactions energy: -231.750
where: short stacking energy: -95.555
Base-Backbone interact. energy: -0.007
local terms energy: -106.963390
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -33.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -341.702301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.702301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.702301 (E_RNA)
where:
Base-Base interactions energy: -232.653
where: short stacking energy: -100.052
Base-Backbone interact. energy: 1.069
local terms energy: -110.117891
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -34.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -313.543551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.543551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.543551 (E_RNA)
where:
Base-Base interactions energy: -212.049
where: short stacking energy: -86.259
Base-Backbone interact. energy: -0.028
local terms energy: -101.466714
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -314.205976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.205976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.205976 (E_RNA)
where:
Base-Base interactions energy: -217.320
where: short stacking energy: -87.876
Base-Backbone interact. energy: -0.061
local terms energy: -96.825162
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -32.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -255.510014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.510014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.510014 (E_RNA)
where:
Base-Base interactions energy: -171.804
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.495
local terms energy: -83.210785
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -113.145849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.145849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.145849 (E_RNA)
where:
Base-Base interactions energy: -59.786
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.245
local terms energy: -53.114349
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -92.184108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.184108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.184108 (E_RNA)
where:
Base-Base interactions energy: -26.705
where: short stacking energy: -21.059
Base-Backbone interact. energy: 2.599
local terms energy: -68.078785
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -354.036931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.036931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.036931 (E_RNA)
where:
Base-Base interactions energy: -245.904
where: short stacking energy: -100.745
Base-Backbone interact. energy: -0.029
local terms energy: -108.104256
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -30.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -353.847855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.847855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.847855 (E_RNA)
where:
Base-Base interactions energy: -243.498
where: short stacking energy: -94.728
Base-Backbone interact. energy: -0.145
local terms energy: -110.205401
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -31.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -340.976011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.976011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.976011 (E_RNA)
where:
Base-Base interactions energy: -232.136
where: short stacking energy: -88.039
Base-Backbone interact. energy: -0.013
local terms energy: -108.826655
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -340.819217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.819217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.819217 (E_RNA)
where:
Base-Base interactions energy: -227.271
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.405
local terms energy: -113.143255
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -34.163
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: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -331.023330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.023330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.023330 (E_RNA)
where:
Base-Base interactions energy: -223.665
where: short stacking energy: -93.498
Base-Backbone interact. energy: -0.007
local terms energy: -107.352134
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -314.128143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.128143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.128143 (E_RNA)
where:
Base-Base interactions energy: -226.910
where: short stacking energy: -82.829
Base-Backbone interact. energy: 1.001
local terms energy: -88.218760
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -32.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -297.229699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.229699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.229699 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.001
local terms energy: -104.152041
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -264.711884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.711884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.711884 (E_RNA)
where:
Base-Base interactions energy: -173.312
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.061
local terms energy: -91.338401
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -128.008518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.008518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.008518 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -37.254
Base-Backbone interact. energy: -1.163
local terms energy: -69.821152
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -14.949
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: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -106.357454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.357454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.357454 (E_RNA)
where:
Base-Base interactions energy: -39.256
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.443
local terms energy: -66.658792
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -11.030
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: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -363.183441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.183441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.183441 (E_RNA)
where:
Base-Base interactions energy: -247.761
where: short stacking energy: -92.949
Base-Backbone interact. energy: -0.346
local terms energy: -115.076461
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -350.629388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.629388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.629388 (E_RNA)
where:
Base-Base interactions energy: -239.179
where: short stacking energy: -102.000
Base-Backbone interact. energy: -0.070
local terms energy: -111.380401
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -357.201544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.201544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.201544 (E_RNA)
where:
Base-Base interactions energy: -251.065
where: short stacking energy: -104.113
Base-Backbone interact. energy: -0.331
local terms energy: -105.805492
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -27.781
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: 163
Temperature: 1.050000
Total energy: -331.150176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.150176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.150176 (E_RNA)
where:
Base-Base interactions energy: -225.841
where: short stacking energy: -89.154
Base-Backbone interact. energy: -0.736
local terms energy: -104.573109
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -337.326001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.326001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.326001 (E_RNA)
where:
Base-Base interactions energy: -235.334
where: short stacking energy: -95.073
Base-Backbone interact. energy: -0.144
local terms energy: -101.847765
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -32.425
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: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -319.330713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.330713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.330713 (E_RNA)
where:
Base-Base interactions energy: -215.081
where: short stacking energy: -81.553
Base-Backbone interact. energy: 0.161
local terms energy: -104.410460
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -316.617269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.617269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.617269 (E_RNA)
where:
Base-Base interactions energy: -216.221
where: short stacking energy: -80.964
Base-Backbone interact. energy: -0.103
local terms energy: -100.293728
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -30.573
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -264.581055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.581055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.581055 (E_RNA)
where:
Base-Base interactions energy: -173.109
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.231
local terms energy: -91.240174
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -100.348494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.348494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.348494 (E_RNA)
where:
Base-Base interactions energy: -32.954
where: short stacking energy: -25.926
Base-Backbone interact. energy: 1.305
local terms energy: -68.699056
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -93.386001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.386001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.386001 (E_RNA)
where:
Base-Base interactions energy: -30.959
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.255
local terms energy: -62.171466
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -363.490048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.490048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.490048 (E_RNA)
where:
Base-Base interactions energy: -250.194
where: short stacking energy: -103.721
Base-Backbone interact. energy: -0.018
local terms energy: -113.278478
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -358.983077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.983077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.983077 (E_RNA)
where:
Base-Base interactions energy: -240.958
where: short stacking energy: -96.742
Base-Backbone interact. energy: -0.004
local terms energy: -118.020499
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -30.768
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: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -359.386731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.386731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.386731 (E_RNA)
where:
Base-Base interactions energy: -245.794
where: short stacking energy: -101.883
Base-Backbone interact. energy: -0.270
local terms energy: -113.323534
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -33.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -356.324656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.324656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.324656 (E_RNA)
where:
Base-Base interactions energy: -243.683
where: short stacking energy: -100.863
Base-Backbone interact. energy: -0.042
local terms energy: -112.599581
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -33.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -313.944449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.944449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.944449 (E_RNA)
where:
Base-Base interactions energy: -207.226
where: short stacking energy: -74.715
Base-Backbone interact. energy: -0.084
local terms energy: -106.634349
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -317.818102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.818102 (E_RNA)
where:
Base-Base interactions energy: -225.633
where: short stacking energy: -87.631
Base-Backbone interact. energy: -0.192
local terms energy: -91.992632
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -29.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -267.231231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.231231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231231 (E_RNA)
where:
Base-Base interactions energy: -175.956
where: short stacking energy: -71.578
Base-Backbone interact. energy: -0.085
local terms energy: -91.190767
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -303.213289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.213289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.213289 (E_RNA)
where:
Base-Base interactions energy: -206.896
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.010
local terms energy: -96.307924
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -103.444364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.444364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.444364 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -23.836
Base-Backbone interact. energy: 0.642
local terms energy: -72.034116
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -95.538731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.538731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.538731 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.511
local terms energy: -58.868935
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: 7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -369.947358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.947358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.947358 (E_RNA)
where:
Base-Base interactions energy: -247.155
where: short stacking energy: -104.806
Base-Backbone interact. energy: -0.002
local terms energy: -122.790444
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -34.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -357.905699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.905699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.905699 (E_RNA)
where:
Base-Base interactions energy: -236.615
where: short stacking energy: -97.790
Base-Backbone interact. energy: -0.051
local terms energy: -121.239825
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -32.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -350.598735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.598735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.598735 (E_RNA)
where:
Base-Base interactions energy: -236.357
where: short stacking energy: -98.712
Base-Backbone interact. energy: -0.001
local terms energy: -114.241086
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -35.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -337.757359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.757359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.757359 (E_RNA)
where:
Base-Base interactions energy: -234.232
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.001
local terms energy: -103.524062
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -337.542737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.542737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.542737 (E_RNA)
where:
Base-Base interactions energy: -227.555
where: short stacking energy: -85.136
Base-Backbone interact. energy: -0.127
local terms energy: -109.860703
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -304.810687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.810687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.810687 (E_RNA)
where:
Base-Base interactions energy: -205.516
where: short stacking energy: -86.107
Base-Backbone interact. energy: -0.004
local terms energy: -99.290233
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -28.732
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -329.469311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.469311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.469311 (E_RNA)
where:
Base-Base interactions energy: -212.476
where: short stacking energy: -90.139
Base-Backbone interact. energy: -1.053
local terms energy: -115.940508
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -283.040332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.040332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.040332 (E_RNA)
where:
Base-Base interactions energy: -187.367
where: short stacking energy: -76.069
Base-Backbone interact. energy: -0.010
local terms energy: -95.662565
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -109.101174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.101174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.101174 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -19.452
Base-Backbone interact. energy: -0.325
local terms energy: -60.557369
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: 8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -101.284608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.284608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.284608 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -31.837
Base-Backbone interact. energy: 0.201
local terms energy: -63.870803
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -361.874051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.874051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.874051 (E_RNA)
where:
Base-Base interactions energy: -242.307
where: short stacking energy: -97.966
Base-Backbone interact. energy: -0.046
local terms energy: -119.521158
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -32.231
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: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -357.508203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.508203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.508203 (E_RNA)
where:
Base-Base interactions energy: -246.740
where: short stacking energy: -97.778
Base-Backbone interact. energy: -0.115
local terms energy: -110.652794
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -29.803
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: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -339.468304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.468304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.468304 (E_RNA)
where:
Base-Base interactions energy: -232.045
where: short stacking energy: -96.238
Base-Backbone interact. energy: 2.451
local terms energy: -109.874174
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -28.818
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: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -346.232200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.232200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.232200 (E_RNA)
where:
Base-Base interactions energy: -236.659
where: short stacking energy: -99.912
Base-Backbone interact. energy: -0.273
local terms energy: -109.300756
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -31.532
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -338.261651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.261651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.261651 (E_RNA)
where:
Base-Base interactions energy: -226.378
where: short stacking energy: -93.022
Base-Backbone interact. energy: 1.625
local terms energy: -113.509214
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -32.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -342.703009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.703009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.703009 (E_RNA)
where:
Base-Base interactions energy: -237.083
where: short stacking energy: -95.199
Base-Backbone interact. energy: 0.479
local terms energy: -106.098855
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -33.486
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: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -314.993031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.993031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.993031 (E_RNA)
where:
Base-Base interactions energy: -218.774
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.101
local terms energy: -96.117851
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -28.797
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: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -300.010156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.010156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.010156 (E_RNA)
where:
Base-Base interactions energy: -214.620
where: short stacking energy: -87.967
Base-Backbone interact. energy: -0.010
local terms energy: -85.379920
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -27.987
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: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -98.831350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.831350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.831350 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -22.855
Base-Backbone interact. energy: 0.010
local terms energy: -63.006305
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -99.432269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.432269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.432269 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -32.822
Base-Backbone interact. energy: 1.750
local terms energy: -60.391645
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -363.526626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.526626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.526626 (E_RNA)
where:
Base-Base interactions energy: -247.449
where: short stacking energy: -96.908
Base-Backbone interact. energy: -0.001
local terms energy: -116.076125
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -35.563
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: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -356.343738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.343738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.343738 (E_RNA)
where:
Base-Base interactions energy: -238.812
where: short stacking energy: -100.652
Base-Backbone interact. energy: -0.009
local terms energy: -117.522676
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -349.517028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.517028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.517028 (E_RNA)
where:
Base-Base interactions energy: -245.984
where: short stacking energy: -95.162
Base-Backbone interact. energy: -0.442
local terms energy: -103.091626
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -29.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -343.400049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.400049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.400049 (E_RNA)
where:
Base-Base interactions energy: -227.662
where: short stacking energy: -91.097
Base-Backbone interact. energy: -0.066
local terms energy: -115.672155
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -33.877
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: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -317.987045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.987045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.987045 (E_RNA)
where:
Base-Base interactions energy: -215.331
where: short stacking energy: -91.671
Base-Backbone interact. energy: -0.085
local terms energy: -102.570840
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -31.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -312.744395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.744395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.744395 (E_RNA)
where:
Base-Base interactions energy: -220.720
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.073
local terms energy: -91.951277
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -7.469
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -29.111
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: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -321.353367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.353367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.353367 (E_RNA)
where:
Base-Base interactions energy: -216.961
where: short stacking energy: -91.707
Base-Backbone interact. energy: -0.067
local terms energy: -104.324979
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -9.093
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -291.024648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.024648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.024648 (E_RNA)
where:
Base-Base interactions energy: -197.615
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.158
local terms energy: -93.252016
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -116.735869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.735869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.735869 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.051
local terms energy: -69.381558
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -97.401111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.401111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.401111 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -27.197
Base-Backbone interact. energy: -0.277
local terms energy: -58.289734
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -6.270
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: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -366.762425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.762425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.762425 (E_RNA)
where:
Base-Base interactions energy: -249.727
where: short stacking energy: -105.422
Base-Backbone interact. energy: -0.002
local terms energy: -117.033643
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -34.252
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: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -363.721326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.721326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.721326 (E_RNA)
where:
Base-Base interactions energy: -250.063
where: short stacking energy: -103.652
Base-Backbone interact. energy: -0.237
local terms energy: -113.421701
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -348.245393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.245393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.245393 (E_RNA)
where:
Base-Base interactions energy: -239.615
where: short stacking energy: -95.801
Base-Backbone interact. energy: 0.055
local terms energy: -108.685270
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -32.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -346.116296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.116296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.116296 (E_RNA)
where:
Base-Base interactions energy: -236.798
where: short stacking energy: -97.750
Base-Backbone interact. energy: -0.022
local terms energy: -109.295933
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -305.249764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.249764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.249764 (E_RNA)
where:
Base-Base interactions energy: -209.200
where: short stacking energy: -92.972
Base-Backbone interact. energy: -0.119
local terms energy: -95.931024
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -30.873
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -318.234102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.234102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.234102 (E_RNA)
where:
Base-Base interactions energy: -210.673
where: short stacking energy: -87.409
Base-Backbone interact. energy: -0.043
local terms energy: -107.518506
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -29.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -297.260845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.260845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.260845 (E_RNA)
where:
Base-Base interactions energy: -208.108
where: short stacking energy: -80.123
Base-Backbone interact. energy: 0.226
local terms energy: -89.379585
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -22.117
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: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -297.619244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.619244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.619244 (E_RNA)
where:
Base-Base interactions energy: -210.785
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.258
local terms energy: -86.576823
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -100.784186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.784186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.784186 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.155
local terms energy: -71.709420
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -91.742001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.742001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.742001 (E_RNA)
where:
Base-Base interactions energy: -28.275
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.237
local terms energy: -63.229840
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -14.849
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: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -359.070944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.070944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.070944 (E_RNA)
where:
Base-Base interactions energy: -247.242
where: short stacking energy: -101.166
Base-Backbone interact. energy: -0.029
local terms energy: -111.800108
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -33.379
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: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -354.394054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.394054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.394054 (E_RNA)
where:
Base-Base interactions energy: -237.339
where: short stacking energy: -95.483
Base-Backbone interact. energy: -0.248
local terms energy: -116.806911
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -30.695
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -349.525130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.525130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.525130 (E_RNA)
where:
Base-Base interactions energy: -241.206
where: short stacking energy: -92.871
Base-Backbone interact. energy: -0.090
local terms energy: -108.229623
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -30.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -346.052785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.052785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.052785 (E_RNA)
where:
Base-Base interactions energy: -233.127
where: short stacking energy: -99.678
Base-Backbone interact. energy: -0.001
local terms energy: -112.924620
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -34.132
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: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -310.354150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.354150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.354150 (E_RNA)
where:
Base-Base interactions energy: -211.020
where: short stacking energy: -88.040
Base-Backbone interact. energy: 0.116
local terms energy: -99.450368
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -328.630662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.630662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.630662 (E_RNA)
where:
Base-Base interactions energy: -224.954
where: short stacking energy: -86.634
Base-Backbone interact. energy: -0.006
local terms energy: -103.671207
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -31.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -301.508835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.508835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.508835 (E_RNA)
where:
Base-Base interactions energy: -208.733
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.027
local terms energy: -92.748509
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -23.441
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: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -310.299955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.299955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.299955 (E_RNA)
where:
Base-Base interactions energy: -220.858
where: short stacking energy: -90.681
Base-Backbone interact. energy: -0.125
local terms energy: -89.316849
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -101.798787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.798787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.798787 (E_RNA)
where:
Base-Base interactions energy: -37.826
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.479
local terms energy: -63.494043
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -12.849
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: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -94.483564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.483564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.483564 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -20.319
Base-Backbone interact. energy: -0.539
local terms energy: -57.567004
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -370.562897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.562897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.562897 (E_RNA)
where:
Base-Base interactions energy: -245.274
where: short stacking energy: -100.609
Base-Backbone interact. energy: -0.005
local terms energy: -125.283518
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -355.852480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.852480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.852480 (E_RNA)
where:
Base-Base interactions energy: -238.747
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.207
local terms energy: -116.898654
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -31.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -362.409764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.409764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.409764 (E_RNA)
where:
Base-Base interactions energy: -244.041
where: short stacking energy: -100.437
Base-Backbone interact. energy: -0.008
local terms energy: -118.360935
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -343.960529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.960529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.960529 (E_RNA)
where:
Base-Base interactions energy: -227.933
where: short stacking energy: -91.206
Base-Backbone interact. energy: -0.448
local terms energy: -115.579848
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -32.392
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: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -333.914498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.914498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.914498 (E_RNA)
where:
Base-Base interactions energy: -229.188
where: short stacking energy: -90.419
Base-Backbone interact. energy: -0.003
local terms energy: -104.724135
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -336.692732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.692732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.692732 (E_RNA)
where:
Base-Base interactions energy: -222.599
where: short stacking energy: -89.341
Base-Backbone interact. energy: -0.001
local terms energy: -114.093416
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -31.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -303.025191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.025191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.025191 (E_RNA)
where:
Base-Base interactions energy: -198.774
where: short stacking energy: -77.861
Base-Backbone interact. energy: -0.002
local terms energy: -104.249695
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -287.563874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.563874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.563874 (E_RNA)
where:
Base-Base interactions energy: -183.121
where: short stacking energy: -75.855
Base-Backbone interact. energy: 0.754
local terms energy: -105.196708
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -27.766
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: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -98.856699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.856699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.856699 (E_RNA)
where:
Base-Base interactions energy: -23.312
where: short stacking energy: -23.312
Base-Backbone interact. energy: -0.315
local terms energy: -75.230177
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -9.330
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: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -101.328485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.328485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.328485 (E_RNA)
where:
Base-Base interactions energy: -31.420
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.330
local terms energy: -69.578533
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -1.924
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: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -364.378250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.378250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.378250 (E_RNA)
where:
Base-Base interactions energy: -245.398
where: short stacking energy: -103.426
Base-Backbone interact. energy: -0.035
local terms energy: -118.946068
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -32.855
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -364.769671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.769671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.769671 (E_RNA)
where:
Base-Base interactions energy: -246.486
where: short stacking energy: -106.639
Base-Backbone interact. energy: -0.006
local terms energy: -118.278513
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -342.679060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.679060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.679060 (E_RNA)
where:
Base-Base interactions energy: -234.731
where: short stacking energy: -101.291
Base-Backbone interact. energy: -0.006
local terms energy: -107.941432
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -31.523
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -345.766874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.766874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.766874 (E_RNA)
where:
Base-Base interactions energy: -237.791
where: short stacking energy: -102.253
Base-Backbone interact. energy: -0.003
local terms energy: -107.972975
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -35.552
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: 171
Temperature: 1.100000
Total energy: -338.502046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.502046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.502046 (E_RNA)
where:
Base-Base interactions energy: -229.976
where: short stacking energy: -96.111
Base-Backbone interact. energy: -0.094
local terms energy: -108.432139
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -27.958
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: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -311.961866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.961866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.961866 (E_RNA)
where:
Base-Base interactions energy: -217.034
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.223
local terms energy: -94.705051
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -30.659
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: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -328.423197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.423197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.423197 (E_RNA)
where:
Base-Base interactions energy: -224.912
where: short stacking energy: -90.748
Base-Backbone interact. energy: -0.459
local terms energy: -103.051719
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -32.935
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -289.172631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.172631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.172631 (E_RNA)
where:
Base-Base interactions energy: -204.000
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.050
local terms energy: -85.122770
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -116.168080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.168080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.168080 (E_RNA)
where:
Base-Base interactions energy: -53.385
where: short stacking energy: -20.897
Base-Backbone interact. energy: -0.196
local terms energy: -62.586763
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -104.816925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.816925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.816925 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.798
local terms energy: -68.904440
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -362.591693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.591693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.591693 (E_RNA)
where:
Base-Base interactions energy: -253.690
where: short stacking energy: -107.241
Base-Backbone interact. energy: -0.050
local terms energy: -108.851297
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -34.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -348.533417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.533417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.533417 (E_RNA)
where:
Base-Base interactions energy: -241.006
where: short stacking energy: -102.118
Base-Backbone interact. energy: 0.046
local terms energy: -107.573402
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -350.502007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.502007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.502007 (E_RNA)
where:
Base-Base interactions energy: -241.859
where: short stacking energy: -98.968
Base-Backbone interact. energy: -0.077
local terms energy: -108.565364
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -34.446
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -346.434301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.434301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.434301 (E_RNA)
where:
Base-Base interactions energy: -236.343
where: short stacking energy: -102.098
Base-Backbone interact. energy: 0.752
local terms energy: -110.843715
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -35.441
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -329.668652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.668652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.668652 (E_RNA)
where:
Base-Base interactions energy: -226.417
where: short stacking energy: -84.175
Base-Backbone interact. energy: 1.699
local terms energy: -104.950197
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -302.250208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.250208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.250208 (E_RNA)
where:
Base-Base interactions energy: -203.278
where: short stacking energy: -81.936
Base-Backbone interact. energy: -0.254
local terms energy: -98.718070
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -23.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -295.300850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.300850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.300850 (E_RNA)
where:
Base-Base interactions energy: -200.471
where: short stacking energy: -87.213
Base-Backbone interact. energy: -0.009
local terms energy: -94.821323
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -25.851
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: 172
Temperature: 1.250000
Total energy: -291.143062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.143062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.143062 (E_RNA)
where:
Base-Base interactions energy: -195.378
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.060
local terms energy: -95.705574
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -117.255529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.255529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.255529 (E_RNA)
where:
Base-Base interactions energy: -63.893
where: short stacking energy: -22.757
Base-Backbone interact. energy: 0.520
local terms energy: -53.882951
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -8.744
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -107.897882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.897882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.897882 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -28.706
Base-Backbone interact. energy: 0.885
local terms energy: -68.576196
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -357.019535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.019535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.019535 (E_RNA)
where:
Base-Base interactions energy: -240.858
where: short stacking energy: -98.792
Base-Backbone interact. energy: -0.025
local terms energy: -116.136745
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -31.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -358.913435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.913435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.913435 (E_RNA)
where:
Base-Base interactions energy: -240.904
where: short stacking energy: -96.457
Base-Backbone interact. energy: -0.131
local terms energy: -117.878660
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -347.805748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.805748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.805748 (E_RNA)
where:
Base-Base interactions energy: -240.154
where: short stacking energy: -97.605
Base-Backbone interact. energy: -0.002
local terms energy: -107.650213
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -352.572592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.572592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.572592 (E_RNA)
where:
Base-Base interactions energy: -248.065
where: short stacking energy: -97.836
Base-Backbone interact. energy: 0.106
local terms energy: -104.612991
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -34.086
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: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -346.924124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.924124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.924124 (E_RNA)
where:
Base-Base interactions energy: -235.827
where: short stacking energy: -93.735
Base-Backbone interact. energy: -0.056
local terms energy: -111.041756
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -31.607
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -312.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.713730 (E_RNA)
where:
Base-Base interactions energy: -206.817
where: short stacking energy: -75.763
Base-Backbone interact. energy: -0.124
local terms energy: -105.772749
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -26.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -293.875327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.875327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.875327 (E_RNA)
where:
Base-Base interactions energy: -209.947
where: short stacking energy: -80.708
Base-Backbone interact. energy: 0.419
local terms energy: -84.347550
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -250.037788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.037788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.037788 (E_RNA)
where:
Base-Base interactions energy: -168.982
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.034
local terms energy: -81.021907
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -105.338329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.338329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.338329 (E_RNA)
where:
Base-Base interactions energy: -46.819
where: short stacking energy: -28.915
Base-Backbone interact. energy: 1.599
local terms energy: -60.119024
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -2.619
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -106.145425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.145425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.145425 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -30.507
Base-Backbone interact. energy: -0.082
local terms energy: -73.882961
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -369.535248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.535248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.535248 (E_RNA)
where:
Base-Base interactions energy: -249.789
where: short stacking energy: -99.626
Base-Backbone interact. energy: 1.515
local terms energy: -121.261942
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -362.434031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.434031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.434031 (E_RNA)
where:
Base-Base interactions energy: -245.870
where: short stacking energy: -105.278
Base-Backbone interact. energy: -0.002
local terms energy: -116.561707
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -34.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -360.787137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.787137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.787137 (E_RNA)
where:
Base-Base interactions energy: -249.878
where: short stacking energy: -91.910
Base-Backbone interact. energy: -0.064
local terms energy: -110.844815
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -29.862
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: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -332.785936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.785936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.785936 (E_RNA)
where:
Base-Base interactions energy: -221.367
where: short stacking energy: -86.731
Base-Backbone interact. energy: -0.003
local terms energy: -111.416226
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -320.880764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.880764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.880764 (E_RNA)
where:
Base-Base interactions energy: -223.908
where: short stacking energy: -92.574
Base-Backbone interact. energy: -0.007
local terms energy: -96.965045
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -25.400
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -318.025039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.025039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.025039 (E_RNA)
where:
Base-Base interactions energy: -210.022
where: short stacking energy: -84.612
Base-Backbone interact. energy: 1.166
local terms energy: -109.168538
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -25.033
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -310.703789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.703789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.703789 (E_RNA)
where:
Base-Base interactions energy: -205.379
where: short stacking energy: -86.932
Base-Backbone interact. energy: -0.011
local terms energy: -105.313932
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -243.514325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.514325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.514325 (E_RNA)
where:
Base-Base interactions energy: -161.127
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.143
local terms energy: -82.244131
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -98.971640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.971640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.971640 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.112
local terms energy: -63.100127
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: 2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -92.480697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.480697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.480697 (E_RNA)
where:
Base-Base interactions energy: -33.594
where: short stacking energy: -25.804
Base-Backbone interact. energy: -0.686
local terms energy: -58.200798
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -364.898167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.898167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.898167 (E_RNA)
where:
Base-Base interactions energy: -245.501
where: short stacking energy: -102.933
Base-Backbone interact. energy: -0.009
local terms energy: -119.388010
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -360.084744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.084744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.084744 (E_RNA)
where:
Base-Base interactions energy: -241.193
where: short stacking energy: -102.729
Base-Backbone interact. energy: -0.018
local terms energy: -118.874125
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -32.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -348.351552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.351552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.351552 (E_RNA)
where:
Base-Base interactions energy: -231.713
where: short stacking energy: -92.819
Base-Backbone interact. energy: -0.365
local terms energy: -116.273385
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -33.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -340.305230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.305230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.305230 (E_RNA)
where:
Base-Base interactions energy: -236.166
where: short stacking energy: -96.074
Base-Backbone interact. energy: -2.446
local terms energy: -101.693990
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -317.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.461917 (E_RNA)
where:
Base-Base interactions energy: -216.141
where: short stacking energy: -86.330
Base-Backbone interact. energy: 1.108
local terms energy: -102.428237
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -32.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -331.342995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.342995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.342995 (E_RNA)
where:
Base-Base interactions energy: -229.912
where: short stacking energy: -92.003
Base-Backbone interact. energy: 0.356
local terms energy: -101.787491
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -31.517
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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -294.317868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.317868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.317868 (E_RNA)
where:
Base-Base interactions energy: -202.503
where: short stacking energy: -67.383
Base-Backbone interact. energy: 0.388
local terms energy: -92.202422
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -103.672657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.672657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.672657 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -28.638
Base-Backbone interact. energy: 1.821
local terms energy: -71.482759
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -207.524695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.524695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524695 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.106
local terms energy: -68.164566
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -96.700567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700567 (E_RNA)
where:
Base-Base interactions energy: -29.065
where: short stacking energy: -21.308
Base-Backbone interact. energy: -0.476
local terms energy: -67.158911
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: 1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -362.559903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.559903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.559903 (E_RNA)
where:
Base-Base interactions energy: -246.392
where: short stacking energy: -102.847
Base-Backbone interact. energy: -0.091
local terms energy: -116.077758
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -33.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -361.687136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.687136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.687136 (E_RNA)
where:
Base-Base interactions energy: -245.869
where: short stacking energy: -96.761
Base-Backbone interact. energy: -0.002
local terms energy: -115.816495
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -28.794
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: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -350.548325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.548325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.548325 (E_RNA)
where:
Base-Base interactions energy: -237.702
where: short stacking energy: -100.243
Base-Backbone interact. energy: -0.087
local terms energy: -112.759085
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -34.004
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: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -334.144129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.144129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.144129 (E_RNA)
where:
Base-Base interactions energy: -226.954
where: short stacking energy: -91.528
Base-Backbone interact. energy: -0.017
local terms energy: -107.172758
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -337.008269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.008269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.008269 (E_RNA)
where:
Base-Base interactions energy: -228.142
where: short stacking energy: -97.082
Base-Backbone interact. energy: -0.363
local terms energy: -108.504012
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -337.730230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.730230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.730230 (E_RNA)
where:
Base-Base interactions energy: -236.067
where: short stacking energy: -101.036
Base-Backbone interact. energy: -0.089
local terms energy: -101.573507
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -32.762
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -322.168656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.168656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.168656 (E_RNA)
where:
Base-Base interactions energy: -218.986
where: short stacking energy: -88.836
Base-Backbone interact. energy: 0.245
local terms energy: -103.427776
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -31.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -115.068966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.068966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.068966 (E_RNA)
where:
Base-Base interactions energy: -45.905
where: short stacking energy: -39.154
Base-Backbone interact. energy: 0.111
local terms energy: -69.274343
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.153
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: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -209.428435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.428435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.428435 (E_RNA)
where:
Base-Base interactions energy: -118.837
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.899
local terms energy: -89.692272
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -99.013624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013624 (E_RNA)
where:
Base-Base interactions energy: -45.167
where: short stacking energy: -30.210
Base-Backbone interact. energy: 1.084
local terms energy: -54.930376
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -10.406
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: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -351.673496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.673496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.673496 (E_RNA)
where:
Base-Base interactions energy: -241.975
where: short stacking energy: -101.489
Base-Backbone interact. energy: -0.134
local terms energy: -109.564622
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -32.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -353.877355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.877355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.877355 (E_RNA)
where:
Base-Base interactions energy: -239.465
where: short stacking energy: -94.058
Base-Backbone interact. energy: -0.478
local terms energy: -113.933446
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -33.546
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: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -356.469894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.469894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.469894 (E_RNA)
where:
Base-Base interactions energy: -236.102
where: short stacking energy: -93.673
Base-Backbone interact. energy: -0.184
local terms energy: -120.183256
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -337.915287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.915287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.915287 (E_RNA)
where:
Base-Base interactions energy: -231.992
where: short stacking energy: -89.968
Base-Backbone interact. energy: -0.071
local terms energy: -105.852482
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -334.260388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.260388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.260388 (E_RNA)
where:
Base-Base interactions energy: -227.690
where: short stacking energy: -86.852
Base-Backbone interact. energy: -0.101
local terms energy: -106.469361
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -29.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -307.639699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.639699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.639699 (E_RNA)
where:
Base-Base interactions energy: -204.760
where: short stacking energy: -78.776
Base-Backbone interact. energy: -0.132
local terms energy: -102.748006
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -25.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -300.037428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.037428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.037428 (E_RNA)
where:
Base-Base interactions energy: -203.471
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.850
local terms energy: -95.717330
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -29.600
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -189.782395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782395 (E_RNA)
where:
Base-Base interactions energy: -110.413
where: short stacking energy: -43.399
Base-Backbone interact. energy: 0.503
local terms energy: -79.872114
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -7.647
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: 177
Temperature: 1.300000
Total energy: -101.783704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.783704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.783704 (E_RNA)
where:
Base-Base interactions energy: -40.525
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.229
local terms energy: -61.030029
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -13.493
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: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -100.572387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.572387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.572387 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -31.950
Base-Backbone interact. energy: 1.360
local terms energy: -63.407728
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -8.967
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: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -367.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.861902 (E_RNA)
where:
Base-Base interactions energy: -250.116
where: short stacking energy: -100.705
Base-Backbone interact. energy: -0.055
local terms energy: -117.691157
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -34.022
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: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -352.462883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.462883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.462883 (E_RNA)
where:
Base-Base interactions energy: -240.101
where: short stacking energy: -95.800
Base-Backbone interact. energy: -0.252
local terms energy: -112.110204
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -32.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -349.287257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.287257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.287257 (E_RNA)
where:
Base-Base interactions energy: -238.703
where: short stacking energy: -101.697
Base-Backbone interact. energy: -0.003
local terms energy: -110.581012
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -34.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -341.261699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.261699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.261699 (E_RNA)
where:
Base-Base interactions energy: -237.538
where: short stacking energy: -94.204
Base-Backbone interact. energy: -0.100
local terms energy: -103.623046
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -325.315864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.315864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.315864 (E_RNA)
where:
Base-Base interactions energy: -220.373
where: short stacking energy: -85.008
Base-Backbone interact. energy: -0.010
local terms energy: -104.932953
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -286.244375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.244375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.244375 (E_RNA)
where:
Base-Base interactions energy: -196.673
where: short stacking energy: -79.500
Base-Backbone interact. energy: -0.222
local terms energy: -89.349675
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -315.642737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.642737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.642737 (E_RNA)
where:
Base-Base interactions energy: -221.834
where: short stacking energy: -88.608
Base-Backbone interact. energy: -0.093
local terms energy: -93.715492
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -197.965436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.965436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.965436 (E_RNA)
where:
Base-Base interactions energy: -118.510
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.476
local terms energy: -78.979454
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -104.450373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.450373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.450373 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -20.978
Base-Backbone interact. energy: -0.878
local terms energy: -64.738794
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -94.566571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566571 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.281
local terms energy: -63.515846
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: 6.732
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: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -360.840475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.840475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.840475 (E_RNA)
where:
Base-Base interactions energy: -249.922
where: short stacking energy: -102.796
Base-Backbone interact. energy: -0.069
local terms energy: -110.848928
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -32.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -358.009983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.009983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.009983 (E_RNA)
where:
Base-Base interactions energy: -243.837
where: short stacking energy: -101.540
Base-Backbone interact. energy: -0.000
local terms energy: -114.172955
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -353.790469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.790469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.790469 (E_RNA)
where:
Base-Base interactions energy: -234.757
where: short stacking energy: -102.597
Base-Backbone interact. energy: -0.002
local terms energy: -119.031627
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -30.676
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -334.760010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.760010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.760010 (E_RNA)
where:
Base-Base interactions energy: -224.270
where: short stacking energy: -92.515
Base-Backbone interact. energy: 1.971
local terms energy: -112.461411
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -28.487
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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -318.041999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.041999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.041999 (E_RNA)
where:
Base-Base interactions energy: -215.555
where: short stacking energy: -78.390
Base-Backbone interact. energy: -0.116
local terms energy: -102.371120
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -27.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -297.701152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.701152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.701152 (E_RNA)
where:
Base-Base interactions energy: -193.787
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.332
local terms energy: -103.582185
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -341.311059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.311059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.311059 (E_RNA)
where:
Base-Base interactions energy: -234.543
where: short stacking energy: -93.874
Base-Backbone interact. energy: -0.010
local terms energy: -106.758272
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -30.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -196.473409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.473409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.473409 (E_RNA)
where:
Base-Base interactions energy: -108.930
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.396
local terms energy: -87.147327
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -109.196844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.196844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.196844 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -34.859
Base-Backbone interact. energy: 0.451
local terms energy: -64.423148
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -101.590377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.590377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.590377 (E_RNA)
where:
Base-Base interactions energy: -40.648
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.166
local terms energy: -60.776164
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -372.176862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.176862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.176862 (E_RNA)
where:
Base-Base interactions energy: -248.768
where: short stacking energy: -106.648
Base-Backbone interact. energy: 3.123
local terms energy: -126.531194
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -33.776
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -360.351112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.351112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.351112 (E_RNA)
where:
Base-Base interactions energy: -244.089
where: short stacking energy: -99.979
Base-Backbone interact. energy: -0.145
local terms energy: -116.117442
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -35.089
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -351.576326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.576326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.576326 (E_RNA)
where:
Base-Base interactions energy: -233.163
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.394
local terms energy: -118.019661
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -30.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -347.186897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.186897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.186897 (E_RNA)
where:
Base-Base interactions energy: -234.533
where: short stacking energy: -102.690
Base-Backbone interact. energy: -0.002
local terms energy: -112.652416
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -333.589611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.589611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.589611 (E_RNA)
where:
Base-Base interactions energy: -225.888
where: short stacking energy: -95.702
Base-Backbone interact. energy: -0.460
local terms energy: -107.241342
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -31.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -300.992743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.992743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.992743 (E_RNA)
where:
Base-Base interactions energy: -208.903
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.169
local terms energy: -91.920350
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -318.746684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.746684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.746684 (E_RNA)
where:
Base-Base interactions energy: -218.928
where: short stacking energy: -92.065
Base-Backbone interact. energy: 0.565
local terms energy: -100.383682
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -32.898
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: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -171.206806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.206806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.206806 (E_RNA)
where:
Base-Base interactions energy: -99.938
where: short stacking energy: -40.967
Base-Backbone interact. energy: -0.827
local terms energy: -70.441629
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -108.414061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.414061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.414061 (E_RNA)
where:
Base-Base interactions energy: -46.969
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.488
local terms energy: -60.956503
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: 2.013
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: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -92.686862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.686862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.686862 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -18.437
Base-Backbone interact. energy: -1.210
local terms energy: -61.083499
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -365.470915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.470915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.470915 (E_RNA)
where:
Base-Base interactions energy: -247.393
where: short stacking energy: -102.804
Base-Backbone interact. energy: -0.003
local terms energy: -118.074177
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -33.756
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: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -359.048447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.048447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.048447 (E_RNA)
where:
Base-Base interactions energy: -242.213
where: short stacking energy: -96.973
Base-Backbone interact. energy: 0.161
local terms energy: -116.996369
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -25.505
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -31.312
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: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -348.013271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.013271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.013271 (E_RNA)
where:
Base-Base interactions energy: -243.713
where: short stacking energy: -103.650
Base-Backbone interact. energy: -0.389
local terms energy: -103.911264
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -31.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -349.970312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.970312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.970312 (E_RNA)
where:
Base-Base interactions energy: -241.662
where: short stacking energy: -99.764
Base-Backbone interact. energy: 0.125
local terms energy: -108.432690
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -331.872485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.872485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.872485 (E_RNA)
where:
Base-Base interactions energy: -232.305
where: short stacking energy: -99.445
Base-Backbone interact. energy: -0.004
local terms energy: -99.563757
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -31.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -315.127458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.127458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.127458 (E_RNA)
where:
Base-Base interactions energy: -220.879
where: short stacking energy: -86.950
Base-Backbone interact. energy: -0.004
local terms energy: -94.244697
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -313.350171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.350171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.350171 (E_RNA)
where:
Base-Base interactions energy: -218.499
where: short stacking energy: -83.496
Base-Backbone interact. energy: -0.013
local terms energy: -94.838472
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -28.195
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: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -192.210451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.210451 (E_RNA)
where:
Base-Base interactions energy: -101.610
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.817
local terms energy: -89.783508
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -16.931
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -108.317509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.317509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.317509 (E_RNA)
where:
Base-Base interactions energy: -38.577
where: short stacking energy: -26.665
Base-Backbone interact. energy: 2.209
local terms energy: -71.948694
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -4.625
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: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -104.502317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.502317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.502317 (E_RNA)
where:
Base-Base interactions energy: -46.748
where: short stacking energy: -29.909
Base-Backbone interact. energy: 0.005
local terms energy: -57.758925
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -368.280512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.280512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.280512 (E_RNA)
where:
Base-Base interactions energy: -247.133
where: short stacking energy: -96.985
Base-Backbone interact. energy: -0.080
local terms energy: -121.067823
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -30.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -342.226903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.226903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.226903 (E_RNA)
where:
Base-Base interactions energy: -234.871
where: short stacking energy: -94.372
Base-Backbone interact. energy: -0.082
local terms energy: -107.274668
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -358.726394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.726394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.726394 (E_RNA)
where:
Base-Base interactions energy: -238.921
where: short stacking energy: -99.774
Base-Backbone interact. energy: -0.395
local terms energy: -119.410667
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -34.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -346.424112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.424112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.424112 (E_RNA)
where:
Base-Base interactions energy: -232.130
where: short stacking energy: -92.088
Base-Backbone interact. energy: -1.188
local terms energy: -113.106247
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -32.214
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: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -334.605281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.605281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.605281 (E_RNA)
where:
Base-Base interactions energy: -225.323
where: short stacking energy: -94.238
Base-Backbone interact. energy: 0.089
local terms energy: -109.371307
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -326.087515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.087515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.087515 (E_RNA)
where:
Base-Base interactions energy: -224.386
where: short stacking energy: -100.663
Base-Backbone interact. energy: -0.099
local terms energy: -101.602414
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -325.927727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.927727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.927727 (E_RNA)
where:
Base-Base interactions energy: -224.017
where: short stacking energy: -86.943
Base-Backbone interact. energy: -0.160
local terms energy: -101.750514
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -30.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -188.689985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.689985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.689985 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.370
local terms energy: -77.231287
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -114.560048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.560048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.560048 (E_RNA)
where:
Base-Base interactions energy: -48.052
where: short stacking energy: -37.352
Base-Backbone interact. energy: 1.148
local terms energy: -67.655926
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -101.020344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.020344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.020344 (E_RNA)
where:
Base-Base interactions energy: -40.896
where: short stacking energy: -13.145
Base-Backbone interact. energy: -0.680
local terms energy: -59.444089
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -357.297231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.297231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.297231 (E_RNA)
where:
Base-Base interactions energy: -239.119
where: short stacking energy: -91.375
Base-Backbone interact. energy: -0.002
local terms energy: -118.176282
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -355.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.413962 (E_RNA)
where:
Base-Base interactions energy: -243.308
where: short stacking energy: -95.117
Base-Backbone interact. energy: -0.001
local terms energy: -112.104803
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -353.545131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.545131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.545131 (E_RNA)
where:
Base-Base interactions energy: -243.904
where: short stacking energy: -102.637
Base-Backbone interact. energy: -0.006
local terms energy: -109.635897
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -32.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -333.386358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.386358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.386358 (E_RNA)
where:
Base-Base interactions energy: -222.247
where: short stacking energy: -88.840
Base-Backbone interact. energy: -0.180
local terms energy: -110.959792
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -29.164
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: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -336.738428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.738428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.738428 (E_RNA)
where:
Base-Base interactions energy: -222.188
where: short stacking energy: -97.701
Base-Backbone interact. energy: -0.007
local terms energy: -114.544222
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -34.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -321.697125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.697125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.697125 (E_RNA)
where:
Base-Base interactions energy: -219.144
where: short stacking energy: -82.403
Base-Backbone interact. energy: -0.086
local terms energy: -102.466614
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -324.413800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.413800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.413800 (E_RNA)
where:
Base-Base interactions energy: -226.972
where: short stacking energy: -88.907
Base-Backbone interact. energy: -0.125
local terms energy: -97.316551
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -210.808703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.808703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.808703 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.505
local terms energy: -80.510246
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -105.163703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.163703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.163703 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -23.313
Base-Backbone interact. energy: -0.125
local terms energy: -66.842106
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -13.616
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: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -95.292046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292046 (E_RNA)
where:
Base-Base interactions energy: -29.451
where: short stacking energy: -19.658
Base-Backbone interact. energy: 0.075
local terms energy: -65.916515
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -366.220219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.220219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.220219 (E_RNA)
where:
Base-Base interactions energy: -243.794
where: short stacking energy: -99.557
Base-Backbone interact. energy: -0.092
local terms energy: -122.334027
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -364.688719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.688719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.688719 (E_RNA)
where:
Base-Base interactions energy: -245.831
where: short stacking energy: -101.275
Base-Backbone interact. energy: -0.055
local terms energy: -118.803243
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -34.935
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -345.076974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.076974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.076974 (E_RNA)
where:
Base-Base interactions energy: -231.149
where: short stacking energy: -92.370
Base-Backbone interact. energy: -0.195
local terms energy: -113.733123
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -32.042
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: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -344.991381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.991381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.991381 (E_RNA)
where:
Base-Base interactions energy: -238.141
where: short stacking energy: -103.352
Base-Backbone interact. energy: -0.002
local terms energy: -106.848775
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -331.403577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.403577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.403577 (E_RNA)
where:
Base-Base interactions energy: -229.014
where: short stacking energy: -89.535
Base-Backbone interact. energy: -0.019
local terms energy: -102.370286
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -31.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -308.652097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.652097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.652097 (E_RNA)
where:
Base-Base interactions energy: -200.814
where: short stacking energy: -86.859
Base-Backbone interact. energy: -0.003
local terms energy: -107.835042
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -25.685
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -25.203
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: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -311.446675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.446675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.446675 (E_RNA)
where:
Base-Base interactions energy: -207.306
where: short stacking energy: -83.312
Base-Backbone interact. energy: -0.014
local terms energy: -104.126967
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -222.854382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.854382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.854382 (E_RNA)
where:
Base-Base interactions energy: -138.138
where: short stacking energy: -57.806
Base-Backbone interact. energy: 1.406
local terms energy: -86.122090
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -11.657
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: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -109.769198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.769198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.769198 (E_RNA)
where:
Base-Base interactions energy: -42.449
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.952
local terms energy: -66.368474
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -8.019
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -99.406197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.406197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.406197 (E_RNA)
where:
Base-Base interactions energy: -38.510
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.819
local terms energy: -60.077929
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -13.690
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -361.178742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.178742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.178742 (E_RNA)
where:
Base-Base interactions energy: -246.389
where: short stacking energy: -100.686
Base-Backbone interact. energy: -0.010
local terms energy: -114.780031
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: -32.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -359.013219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.013219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.013219 (E_RNA)
where:
Base-Base interactions energy: -248.358
where: short stacking energy: -95.440
Base-Backbone interact. energy: -0.009
local terms energy: -110.646023
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -30.818
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -354.189647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.189647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.189647 (E_RNA)
where:
Base-Base interactions energy: -239.816
where: short stacking energy: -103.304
Base-Backbone interact. energy: -0.015
local terms energy: -114.358400
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -34.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -344.198971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.198971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.198971 (E_RNA)
where:
Base-Base interactions energy: -225.261
where: short stacking energy: -94.330
Base-Backbone interact. energy: -0.014
local terms energy: -118.923781
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -31.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -312.181768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.181768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.181768 (E_RNA)
where:
Base-Base interactions energy: -202.887
where: short stacking energy: -79.478
Base-Backbone interact. energy: -0.104
local terms energy: -109.190700
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -27.202
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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -313.996447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.996447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.996447 (E_RNA)
where:
Base-Base interactions energy: -209.560
where: short stacking energy: -83.108
Base-Backbone interact. energy: -0.043
local terms energy: -104.392725
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -25.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -290.620911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.620911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.620911 (E_RNA)
where:
Base-Base interactions energy: -199.276
where: short stacking energy: -78.362
Base-Backbone interact. energy: 0.307
local terms energy: -91.651902
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -221.634404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.634404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.634404 (E_RNA)
where:
Base-Base interactions energy: -138.960
where: short stacking energy: -56.733
Base-Backbone interact. energy: 0.145
local terms energy: -82.820309
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -103.490847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.490847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.490847 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.998
local terms energy: -62.907539
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -11.993
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: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -106.249040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.249040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.249040 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.162
local terms energy: -65.584730
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -359.718928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.718928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.718928 (E_RNA)
where:
Base-Base interactions energy: -240.466
where: short stacking energy: -98.791
Base-Backbone interact. energy: -0.698
local terms energy: -118.554829
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -34.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -356.016230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.016230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.016230 (E_RNA)
where:
Base-Base interactions energy: -238.281
where: short stacking energy: -85.945
Base-Backbone interact. energy: -0.160
local terms energy: -117.575480
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -31.381
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: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -345.338087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.338087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.338087 (E_RNA)
where:
Base-Base interactions energy: -240.183
where: short stacking energy: -94.552
Base-Backbone interact. energy: -0.006
local terms energy: -105.148560
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -28.500
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: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -344.454903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.454903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.454903 (E_RNA)
where:
Base-Base interactions energy: -230.571
where: short stacking energy: -82.441
Base-Backbone interact. energy: -0.240
local terms energy: -113.643319
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -314.355569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.355569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.355569 (E_RNA)
where:
Base-Base interactions energy: -209.775
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.577
local terms energy: -104.003642
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -336.023133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.023133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.023133 (E_RNA)
where:
Base-Base interactions energy: -229.528
where: short stacking energy: -95.939
Base-Backbone interact. energy: -0.869
local terms energy: -105.626611
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -249.667470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.667470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.667470 (E_RNA)
where:
Base-Base interactions energy: -164.491
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.729
local terms energy: -84.447863
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -15.933
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: 186
Temperature: 1.250000
Total energy: -275.433580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.433580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.433580 (E_RNA)
where:
Base-Base interactions energy: -181.231
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.069
local terms energy: -94.133259
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -24.168
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: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -122.074272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.074272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.074272 (E_RNA)
where:
Base-Base interactions energy: -57.540
where: short stacking energy: -40.020
Base-Backbone interact. energy: -0.199
local terms energy: -64.335407
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -11.552
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -92.335811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.335811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.335811 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -19.568
Base-Backbone interact. energy: -0.322
local terms energy: -58.949969
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -357.929063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.929063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.929063 (E_RNA)
where:
Base-Base interactions energy: -244.574
where: short stacking energy: -96.862
Base-Backbone interact. energy: -0.077
local terms energy: -113.278251
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -30.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -361.926790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.926790 (E_RNA)
where:
Base-Base interactions energy: -246.072
where: short stacking energy: -101.182
Base-Backbone interact. energy: -0.021
local terms energy: -115.833964
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -348.544912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.544912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.544912 (E_RNA)
where:
Base-Base interactions energy: -239.249
where: short stacking energy: -103.669
Base-Backbone interact. energy: -1.077
local terms energy: -108.218267
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -30.469
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: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -356.083218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.083218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.083218 (E_RNA)
where:
Base-Base interactions energy: -243.842
where: short stacking energy: -102.409
Base-Backbone interact. energy: -1.184
local terms energy: -111.056896
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -33.702
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: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -323.181820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.181820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.181820 (E_RNA)
where:
Base-Base interactions energy: -224.265
where: short stacking energy: -94.132
Base-Backbone interact. energy: -0.004
local terms energy: -98.913031
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -30.708
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -331.036877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.036877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.036877 (E_RNA)
where:
Base-Base interactions energy: -228.557
where: short stacking energy: -94.858
Base-Backbone interact. energy: -0.029
local terms energy: -102.451413
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -30.491
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: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -249.900877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.900877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.900877 (E_RNA)
where:
Base-Base interactions energy: -166.637
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.406
local terms energy: -82.858174
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -307.033947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.033947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.033947 (E_RNA)
where:
Base-Base interactions energy: -203.799
where: short stacking energy: -81.016
Base-Backbone interact. energy: -0.304
local terms energy: -102.931021
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -26.882
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: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -100.069752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.069752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.069752 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -30.556
Base-Backbone interact. energy: 1.028
local terms energy: -70.541534
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -92.877243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.877243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.877243 (E_RNA)
where:
Base-Base interactions energy: -34.533
where: short stacking energy: -31.780
Base-Backbone interact. energy: -1.019
local terms energy: -57.325737
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -357.585719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.585719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.585719 (E_RNA)
where:
Base-Base interactions energy: -242.886
where: short stacking energy: -98.354
Base-Backbone interact. energy: -0.215
local terms energy: -114.485556
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -33.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -361.648929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.648929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.648929 (E_RNA)
where:
Base-Base interactions energy: -253.676
where: short stacking energy: -100.792
Base-Backbone interact. energy: -0.020
local terms energy: -107.953221
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -34.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -338.187246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.187246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.187246 (E_RNA)
where:
Base-Base interactions energy: -227.846
where: short stacking energy: -89.758
Base-Backbone interact. energy: -0.003
local terms energy: -110.338680
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -336.227925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.227925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.227925 (E_RNA)
where:
Base-Base interactions energy: -230.644
where: short stacking energy: -94.885
Base-Backbone interact. energy: -0.081
local terms energy: -105.503125
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -351.531598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.531598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.531598 (E_RNA)
where:
Base-Base interactions energy: -232.717
where: short stacking energy: -98.264
Base-Backbone interact. energy: -0.049
local terms energy: -118.766038
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -31.537
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: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -346.734466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.734466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.734466 (E_RNA)
where:
Base-Base interactions energy: -225.926
where: short stacking energy: -96.959
Base-Backbone interact. energy: -0.002
local terms energy: -120.806021
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -35.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -307.311379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.311379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.311379 (E_RNA)
where:
Base-Base interactions energy: -200.375
where: short stacking energy: -81.868
Base-Backbone interact. energy: -0.431
local terms energy: -106.504908
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -29.629
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: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -238.186522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.186522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.186522 (E_RNA)
where:
Base-Base interactions energy: -154.134
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.601
local terms energy: -83.451507
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -114.566762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.566762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.566762 (E_RNA)
where:
Base-Base interactions energy: -61.992
where: short stacking energy: -19.080
Base-Backbone interact. energy: -0.575
local terms energy: -52.000466
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: 7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -104.713803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.713803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.713803 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.267
local terms energy: -60.919528
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -361.210366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.210366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.210366 (E_RNA)
where:
Base-Base interactions energy: -243.545
where: short stacking energy: -97.556
Base-Backbone interact. energy: -0.004
local terms energy: -117.661790
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -32.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -363.498096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.498096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.498096 (E_RNA)
where:
Base-Base interactions energy: -241.747
where: short stacking energy: -99.490
Base-Backbone interact. energy: -2.243
local terms energy: -119.508564
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -34.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -346.957124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.957124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.957124 (E_RNA)
where:
Base-Base interactions energy: -239.144
where: short stacking energy: -94.106
Base-Backbone interact. energy: -0.086
local terms energy: -107.727445
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -351.064845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.064845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.064845 (E_RNA)
where:
Base-Base interactions energy: -232.176
where: short stacking energy: -94.604
Base-Backbone interact. energy: -0.016
local terms energy: -118.873310
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -34.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -339.556455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.556455 (E_RNA)
where:
Base-Base interactions energy: -229.177
where: short stacking energy: -91.708
Base-Backbone interact. energy: -0.017
local terms energy: -110.362513
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -342.823321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.823321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.823321 (E_RNA)
where:
Base-Base interactions energy: -228.584
where: short stacking energy: -89.362
Base-Backbone interact. energy: -0.002
local terms energy: -114.237158
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -31.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -324.247408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.247408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.247408 (E_RNA)
where:
Base-Base interactions energy: -220.716
where: short stacking energy: -88.282
Base-Backbone interact. energy: -0.666
local terms energy: -102.865629
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -31.374
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: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -221.548073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.548073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.548073 (E_RNA)
where:
Base-Base interactions energy: -134.369
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.056
local terms energy: -87.123015
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -122.161372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.161372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.161372 (E_RNA)
where:
Base-Base interactions energy: -57.712
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.473
local terms energy: -63.977210
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -2.234
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: 189
Temperature: 1.350000
Total energy: -94.274588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274588 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -24.457
Base-Backbone interact. energy: 1.079
local terms energy: -60.454416
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -365.784015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.784015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.784015 (E_RNA)
where:
Base-Base interactions energy: -243.788
where: short stacking energy: -105.625
Base-Backbone interact. energy: -0.000
local terms energy: -121.995813
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -33.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -369.208550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.208550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.208550 (E_RNA)
where:
Base-Base interactions energy: -255.841
where: short stacking energy: -106.335
Base-Backbone interact. energy: -0.002
local terms energy: -113.365632
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -33.126
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: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -361.252971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.252971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.252971 (E_RNA)
where:
Base-Base interactions energy: -246.021
where: short stacking energy: -105.859
Base-Backbone interact. energy: 0.126
local terms energy: -115.358167
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -32.088
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -341.359078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.359078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.359078 (E_RNA)
where:
Base-Base interactions energy: -227.913
where: short stacking energy: -82.232
Base-Backbone interact. energy: -0.429
local terms energy: -113.017631
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -32.005
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: 190
Temperature: 1.100000
Total energy: -335.895294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.895294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.895294 (E_RNA)
where:
Base-Base interactions energy: -226.818
where: short stacking energy: -86.357
Base-Backbone interact. energy: 0.663
local terms energy: -109.739744
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -32.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -311.296298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.296298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.296298 (E_RNA)
where:
Base-Base interactions energy: -207.094
where: short stacking energy: -82.501
Base-Backbone interact. energy: -2.781
local terms energy: -101.421170
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -25.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -327.659006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.659006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.659006 (E_RNA)
where:
Base-Base interactions energy: -219.371
where: short stacking energy: -92.276
Base-Backbone interact. energy: -0.309
local terms energy: -107.979655
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -242.257318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.257318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.257318 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.655
local terms energy: -87.992741
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -98.978912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.978912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.978912 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.186
local terms energy: -68.094945
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -15.984
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: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -91.296354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296354 (E_RNA)
where:
Base-Base interactions energy: -30.205
where: short stacking energy: -17.833
Base-Backbone interact. energy: -1.039
local terms energy: -60.052094
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -366.938155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.938155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.938155 (E_RNA)
where:
Base-Base interactions energy: -247.598
where: short stacking energy: -104.612
Base-Backbone interact. energy: -0.004
local terms energy: -119.336823
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -35.078
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -352.905833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.905833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.905833 (E_RNA)
where:
Base-Base interactions energy: -235.602
where: short stacking energy: -92.452
Base-Backbone interact. energy: -0.033
local terms energy: -117.270434
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -354.074526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.074526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.074526 (E_RNA)
where:
Base-Base interactions energy: -239.754
where: short stacking energy: -100.179
Base-Backbone interact. energy: -0.006
local terms energy: -114.313793
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -23.527
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -35.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -349.638403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.638403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.638403 (E_RNA)
where:
Base-Base interactions energy: -236.031
where: short stacking energy: -95.056
Base-Backbone interact. energy: -0.003
local terms energy: -113.604603
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -31.749
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -329.528122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.528122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.528122 (E_RNA)
where:
Base-Base interactions energy: -224.364
where: short stacking energy: -86.380
Base-Backbone interact. energy: 0.431
local terms energy: -105.595071
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -32.391
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: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -322.995309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.995309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.995309 (E_RNA)
where:
Base-Base interactions energy: -220.747
where: short stacking energy: -83.145
Base-Backbone interact. energy: -0.015
local terms energy: -102.233403
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -286.337671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.337671 (E_RNA)
where:
Base-Base interactions energy: -198.655
where: short stacking energy: -79.521
Base-Backbone interact. energy: -0.295
local terms energy: -87.387257
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -21.316
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: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -247.093394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.093394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.093394 (E_RNA)
where:
Base-Base interactions energy: -147.592
where: short stacking energy: -67.982
Base-Backbone interact. energy: -1.349
local terms energy: -98.152685
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -22.952
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: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -96.778371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.778371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.778371 (E_RNA)
where:
Base-Base interactions energy: -27.517
where: short stacking energy: -27.517
Base-Backbone interact. energy: -0.021
local terms energy: -69.240846
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -107.699839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699839 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -17.482
Base-Backbone interact. energy: -0.206
local terms energy: -74.405715
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -10.598
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: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -360.464451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.464451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.464451 (E_RNA)
where:
Base-Base interactions energy: -246.092
where: short stacking energy: -100.652
Base-Backbone interact. energy: -0.711
local terms energy: -113.662048
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -361.326197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.326197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.326197 (E_RNA)
where:
Base-Base interactions energy: -242.331
where: short stacking energy: -99.653
Base-Backbone interact. energy: -0.002
local terms energy: -118.993105
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -353.146003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.146003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.146003 (E_RNA)
where:
Base-Base interactions energy: -242.439
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.011
local terms energy: -110.696286
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -30.924
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: 192
Temperature: 1.050000
Total energy: -348.364968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.364968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.364968 (E_RNA)
where:
Base-Base interactions energy: -229.674
where: short stacking energy: -89.894
Base-Backbone interact. energy: -0.057
local terms energy: -118.634123
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -35.554
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -333.035110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.035110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.035110 (E_RNA)
where:
Base-Base interactions energy: -222.577
where: short stacking energy: -93.611
Base-Backbone interact. energy: -0.756
local terms energy: -109.702100
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -302.739188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.739188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.739188 (E_RNA)
where:
Base-Base interactions energy: -195.306
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.117
local terms energy: -107.315839
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -27.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -264.193905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.193905 (E_RNA)
where:
Base-Base interactions energy: -175.019
where: short stacking energy: -77.836
Base-Backbone interact. energy: -0.336
local terms energy: -88.839157
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -262.870505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.870505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.870505 (E_RNA)
where:
Base-Base interactions energy: -173.035
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.301
local terms energy: -89.534489
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -22.904
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: 192
Temperature: 1.300000
Total energy: -100.936701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.936701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.936701 (E_RNA)
where:
Base-Base interactions energy: -46.616
where: short stacking energy: -21.757
Base-Backbone interact. energy: 0.256
local terms energy: -54.577157
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -102.839550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.839550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.839550 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -30.251
Base-Backbone interact. energy: 0.017
local terms energy: -61.462848
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -365.149409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.149409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.149409 (E_RNA)
where:
Base-Base interactions energy: -245.439
where: short stacking energy: -99.231
Base-Backbone interact. energy: -0.105
local terms energy: -119.605672
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -36.431
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: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -360.228278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.228278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.228278 (E_RNA)
where:
Base-Base interactions energy: -248.041
where: short stacking energy: -99.085
Base-Backbone interact. energy: -0.160
local terms energy: -112.027709
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -29.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -357.045659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.045659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.045659 (E_RNA)
where:
Base-Base interactions energy: -242.691
where: short stacking energy: -95.787
Base-Backbone interact. energy: -0.555
local terms energy: -113.799867
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -336.873270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.873270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.873270 (E_RNA)
where:
Base-Base interactions energy: -220.364
where: short stacking energy: -87.462
Base-Backbone interact. energy: -0.508
local terms energy: -116.001551
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -30.331
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: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -327.506015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.506015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.506015 (E_RNA)
where:
Base-Base interactions energy: -224.158
where: short stacking energy: -98.346
Base-Backbone interact. energy: -0.005
local terms energy: -103.343471
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -30.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -305.904428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.904428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.904428 (E_RNA)
where:
Base-Base interactions energy: -200.633
where: short stacking energy: -81.852
Base-Backbone interact. energy: -0.125
local terms energy: -105.146184
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -27.535
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: 193
Temperature: 1.200000
Total energy: -279.385401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.385401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.385401 (E_RNA)
where:
Base-Base interactions energy: -182.309
where: short stacking energy: -69.913
Base-Backbone interact. energy: -0.910
local terms energy: -96.166346
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -221.943818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.943818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.943818 (E_RNA)
where:
Base-Base interactions energy: -145.837
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.116
local terms energy: -75.990705
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -114.581483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581483 (E_RNA)
where:
Base-Base interactions energy: -49.614
where: short stacking energy: -40.757
Base-Backbone interact. energy: 0.301
local terms energy: -65.269265
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.488
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: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -92.853765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.853765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.853765 (E_RNA)
where:
Base-Base interactions energy: -24.942
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.541
local terms energy: -67.370901
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -366.379424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.379424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.379424 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -101.771
Base-Backbone interact. energy: -0.001
local terms energy: -113.994391
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -30.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -356.456242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.456242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.456242 (E_RNA)
where:
Base-Base interactions energy: -241.953
where: short stacking energy: -106.085
Base-Backbone interact. energy: -0.004
local terms energy: -114.498947
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -32.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -351.766391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.766391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.766391 (E_RNA)
where:
Base-Base interactions energy: -242.600
where: short stacking energy: -99.858
Base-Backbone interact. energy: -0.015
local terms energy: -109.150918
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -32.334
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: 194
Temperature: 1.050000
Total energy: -344.490484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.490484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.490484 (E_RNA)
where:
Base-Base interactions energy: -239.655
where: short stacking energy: -102.445
Base-Backbone interact. energy: -0.394
local terms energy: -104.440734
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -31.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -338.563934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.563934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.563934 (E_RNA)
where:
Base-Base interactions energy: -229.764
where: short stacking energy: -91.889
Base-Backbone interact. energy: 0.207
local terms energy: -109.006921
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -31.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -305.152077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.152077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.152077 (E_RNA)
where:
Base-Base interactions energy: -207.798
where: short stacking energy: -82.515
Base-Backbone interact. energy: -0.097
local terms energy: -97.257248
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -24.590
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: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -326.345358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.345358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.345358 (E_RNA)
where:
Base-Base interactions energy: -234.161
where: short stacking energy: -93.478
Base-Backbone interact. energy: -1.572
local terms energy: -90.612344
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -27.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -214.011376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.011376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.011376 (E_RNA)
where:
Base-Base interactions energy: -124.952
where: short stacking energy: -55.568
Base-Backbone interact. energy: -0.195
local terms energy: -88.864721
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -104.229654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.229654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.229654 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -34.928
Base-Backbone interact. energy: 0.294
local terms energy: -69.596194
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -95.101803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101803 (E_RNA)
where:
Base-Base interactions energy: -33.359
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.889
local terms energy: -60.854253
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: 4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -366.404042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.404042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.404042 (E_RNA)
where:
Base-Base interactions energy: -247.576
where: short stacking energy: -101.156
Base-Backbone interact. energy: -0.228
local terms energy: -118.599923
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -35.081
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -356.483641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.483641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.483641 (E_RNA)
where:
Base-Base interactions energy: -244.064
where: short stacking energy: -101.442
Base-Backbone interact. energy: -0.005
local terms energy: -112.415212
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -33.205
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: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -350.908562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.908562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.908562 (E_RNA)
where:
Base-Base interactions energy: -230.035
where: short stacking energy: -93.848
Base-Backbone interact. energy: -1.095
local terms energy: -119.778202
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -31.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -339.828873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.828873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.828873 (E_RNA)
where:
Base-Base interactions energy: -232.777
where: short stacking energy: -92.025
Base-Backbone interact. energy: 1.800
local terms energy: -108.852557
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -28.603
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -334.511728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.511728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.511728 (E_RNA)
where:
Base-Base interactions energy: -222.025
where: short stacking energy: -89.909
Base-Backbone interact. energy: -0.029
local terms energy: -112.458211
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -33.269
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: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -328.957805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.957805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.957805 (E_RNA)
where:
Base-Base interactions energy: -229.876
where: short stacking energy: -93.976
Base-Backbone interact. energy: 0.049
local terms energy: -99.130806
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -31.407
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: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -319.063372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.063372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.063372 (E_RNA)
where:
Base-Base interactions energy: -214.052
where: short stacking energy: -88.695
Base-Backbone interact. energy: -0.011
local terms energy: -105.000369
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -240.321591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.321591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.321591 (E_RNA)
where:
Base-Base interactions energy: -150.643
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.971
local terms energy: -88.707724
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -18.896
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: 195
Temperature: 1.300000
Total energy: -107.256743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.256743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.256743 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -26.178
Base-Backbone interact. energy: -1.507
local terms energy: -72.745403
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -105.718054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.718054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.718054 (E_RNA)
where:
Base-Base interactions energy: -47.084
where: short stacking energy: -23.013
Base-Backbone interact. energy: -0.372
local terms energy: -58.261167
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -15.533
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: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -365.330330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.330330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.330330 (E_RNA)
where:
Base-Base interactions energy: -242.905
where: short stacking energy: -92.637
Base-Backbone interact. energy: -2.711
local terms energy: -119.714265
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -35.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -362.526255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.526255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.526255 (E_RNA)
where:
Base-Base interactions energy: -247.473
where: short stacking energy: -106.335
Base-Backbone interact. energy: -0.098
local terms energy: -114.954882
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -32.768
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: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -348.567724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.567724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.567724 (E_RNA)
where:
Base-Base interactions energy: -242.075
where: short stacking energy: -105.312
Base-Backbone interact. energy: -0.008
local terms energy: -106.484480
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -347.818464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.818464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.818464 (E_RNA)
where:
Base-Base interactions energy: -225.510
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.122
local terms energy: -122.186249
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -33.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -340.473829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.473829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.473829 (E_RNA)
where:
Base-Base interactions energy: -228.397
where: short stacking energy: -90.978
Base-Backbone interact. energy: -0.878
local terms energy: -111.198749
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -29.207
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: 196
Temperature: 1.150000
Total energy: -327.909085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.909085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.909085 (E_RNA)
where:
Base-Base interactions energy: -222.318
where: short stacking energy: -87.153
Base-Backbone interact. energy: 0.070
local terms energy: -105.660698
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -31.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -330.437258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.437258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.437258 (E_RNA)
where:
Base-Base interactions energy: -219.987
where: short stacking energy: -91.912
Base-Backbone interact. energy: -0.006
local terms energy: -110.444299
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -31.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -248.891468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.891468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.891468 (E_RNA)
where:
Base-Base interactions energy: -159.819
where: short stacking energy: -63.032
Base-Backbone interact. energy: 1.383
local terms energy: -90.454879
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -110.843300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.843300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.843300 (E_RNA)
where:
Base-Base interactions energy: -60.872
where: short stacking energy: -28.798
Base-Backbone interact. energy: 0.118
local terms energy: -50.089273
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: 5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -94.612213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.612213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.612213 (E_RNA)
where:
Base-Base interactions energy: -39.675
where: short stacking energy: -27.380
Base-Backbone interact. energy: -0.412
local terms energy: -54.525252
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: 1.208
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -362.597833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.597833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.597833 (E_RNA)
where:
Base-Base interactions energy: -251.412
where: short stacking energy: -104.618
Base-Backbone interact. energy: -0.581
local terms energy: -110.605033
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -31.201
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: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -354.177833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.177833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.177833 (E_RNA)
where:
Base-Base interactions energy: -235.715
where: short stacking energy: -97.765
Base-Backbone interact. energy: 0.054
local terms energy: -118.516993
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -338.494825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.494825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.494825 (E_RNA)
where:
Base-Base interactions energy: -229.284
where: short stacking energy: -92.979
Base-Backbone interact. energy: -1.502
local terms energy: -107.708934
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -32.371
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: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -354.184396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.184396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.184396 (E_RNA)
where:
Base-Base interactions energy: -238.369
where: short stacking energy: -96.805
Base-Backbone interact. energy: -0.004
local terms energy: -115.812183
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -33.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -334.130413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.130413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.130413 (E_RNA)
where:
Base-Base interactions energy: -219.316
where: short stacking energy: -89.908
Base-Backbone interact. energy: -1.009
local terms energy: -113.805231
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -31.372
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: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -319.224719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.224719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.224719 (E_RNA)
where:
Base-Base interactions energy: -223.189
where: short stacking energy: -89.564
Base-Backbone interact. energy: -0.098
local terms energy: -95.937174
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -29.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -323.697591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.697591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.697591 (E_RNA)
where:
Base-Base interactions energy: -217.236
where: short stacking energy: -80.654
Base-Backbone interact. energy: 1.631
local terms energy: -108.092600
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -28.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -247.480155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.480155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.480155 (E_RNA)
where:
Base-Base interactions energy: -156.575
where: short stacking energy: -63.847
Base-Backbone interact. energy: 0.772
local terms energy: -91.676637
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -100.864108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.864108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.864108 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -24.543
Base-Backbone interact. energy: -0.792
local terms energy: -67.860802
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -15.368
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: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -92.108334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108334 (E_RNA)
where:
Base-Base interactions energy: -29.619
where: short stacking energy: -17.758
Base-Backbone interact. energy: 2.457
local terms energy: -64.946378
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -363.465843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.465843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.465843 (E_RNA)
where:
Base-Base interactions energy: -244.561
where: short stacking energy: -101.923
Base-Backbone interact. energy: -0.044
local terms energy: -118.859954
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -32.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -351.236490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.236490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.236490 (E_RNA)
where:
Base-Base interactions energy: -234.475
where: short stacking energy: -96.740
Base-Backbone interact. energy: -0.079
local terms energy: -116.682220
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -32.365
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -362.311971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.311971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.311971 (E_RNA)
where:
Base-Base interactions energy: -232.880
where: short stacking energy: -97.116
Base-Backbone interact. energy: -0.001
local terms energy: -129.431448
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -35.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -350.242196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.242196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.242196 (E_RNA)
where:
Base-Base interactions energy: -233.869
where: short stacking energy: -94.894
Base-Backbone interact. energy: -0.002
local terms energy: -116.371750
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -34.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -338.115280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.115280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.115280 (E_RNA)
where:
Base-Base interactions energy: -230.416
where: short stacking energy: -87.003
Base-Backbone interact. energy: -0.437
local terms energy: -107.262535
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -283.999770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.999770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.999770 (E_RNA)
where:
Base-Base interactions energy: -184.500
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.458
local terms energy: -99.041725
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -24.435
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: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -289.572655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.572655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.572655 (E_RNA)
where:
Base-Base interactions energy: -189.724
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.271
local terms energy: -99.577335
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -305.290282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.290282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.290282 (E_RNA)
where:
Base-Base interactions energy: -203.515
where: short stacking energy: -81.062
Base-Backbone interact. energy: 1.206
local terms energy: -102.981180
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -29.864
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: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -96.464165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.464165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.464165 (E_RNA)
where:
Base-Base interactions energy: -29.057
where: short stacking energy: -23.767
Base-Backbone interact. energy: -0.570
local terms energy: -66.837778
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -2.911
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: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -103.541955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.541955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.541955 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -26.606
Base-Backbone interact. energy: 0.892
local terms energy: -58.270658
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: 7.417
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: 199
Temperature: 0.900000
Total energy: -362.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.180271 (E_RNA)
where:
Base-Base interactions energy: -250.926
where: short stacking energy: -93.065
Base-Backbone interact. energy: -0.072
local terms energy: -111.182320
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -29.003
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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -359.620008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.620008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.620008 (E_RNA)
where:
Base-Base interactions energy: -239.139
where: short stacking energy: -97.011
Base-Backbone interact. energy: -0.001
local terms energy: -120.480435
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -34.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -351.313052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.313052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.313052 (E_RNA)
where:
Base-Base interactions energy: -236.039
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.009
local terms energy: -115.265258
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -36.169
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -334.720892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.720892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.720892 (E_RNA)
where:
Base-Base interactions energy: -230.201
where: short stacking energy: -91.999
Base-Backbone interact. energy: -0.012
local terms energy: -104.507828
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -31.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -333.141592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.141592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.141592 (E_RNA)
where:
Base-Base interactions energy: -218.510
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.288
local terms energy: -114.344131
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -313.488560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.488560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.488560 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -87.189
Base-Backbone interact. energy: 0.467
local terms energy: -93.571301
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -285.736836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.736836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.736836 (E_RNA)
where:
Base-Base interactions energy: -186.151
where: short stacking energy: -75.167
Base-Backbone interact. energy: 0.184
local terms energy: -99.769858
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -23.785
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: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -296.639171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.639171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.639171 (E_RNA)
where:
Base-Base interactions energy: -202.384
where: short stacking energy: -85.948
Base-Backbone interact. energy: -0.053
local terms energy: -94.202454
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -102.791184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.791184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.791184 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.691
local terms energy: -66.127558
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -98.736449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.736449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.736449 (E_RNA)
where:
Base-Base interactions energy: -39.376
where: short stacking energy: -28.887
Base-Backbone interact. energy: -0.372
local terms energy: -58.987791
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: 0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -366.509257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.509257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.509257 (E_RNA)
where:
Base-Base interactions energy: -244.842
where: short stacking energy: -102.280
Base-Backbone interact. energy: -2.644
local terms energy: -119.022718
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -36.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -361.271057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.271057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.271057 (E_RNA)
where:
Base-Base interactions energy: -242.136
where: short stacking energy: -97.234
Base-Backbone interact. energy: -0.615
local terms energy: -118.520307
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -30.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -355.754068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.754068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.754068 (E_RNA)
where:
Base-Base interactions energy: -238.814
where: short stacking energy: -94.845
Base-Backbone interact. energy: -0.116
local terms energy: -116.823922
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -344.588467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.588467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.588467 (E_RNA)
where:
Base-Base interactions energy: -241.071
where: short stacking energy: -101.780
Base-Backbone interact. energy: -1.257
local terms energy: -102.260580
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -30.444
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: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -328.817819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.817819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.817819 (E_RNA)
where:
Base-Base interactions energy: -219.309
where: short stacking energy: -89.697
Base-Backbone interact. energy: -0.138
local terms energy: -109.370044
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -28.233
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: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -331.211788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.211788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.211788 (E_RNA)
where:
Base-Base interactions energy: -232.512
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.380
local terms energy: -98.319494
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -28.727
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: 200
Temperature: 1.200000
Total energy: -312.205796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.205796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.205796 (E_RNA)
where:
Base-Base interactions energy: -207.203
where: short stacking energy: -82.484
Base-Backbone interact. energy: -0.015
local terms energy: -104.987564
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -241.936294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.936294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.936294 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -62.975
Base-Backbone interact. energy: 1.194
local terms energy: -86.116330
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.982
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: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -102.248062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.248062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.248062 (E_RNA)
where:
Base-Base interactions energy: -38.194
where: short stacking energy: -24.399
Base-Backbone interact. energy: 0.186
local terms energy: -64.240718
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -87.572483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.572483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.572483 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -22.043
Base-Backbone interact. energy: -1.168
local terms energy: -56.053657
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -11.247
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: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -367.628955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.628955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.628955 (E_RNA)
where:
Base-Base interactions energy: -254.134
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.003
local terms energy: -113.492334
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -360.592285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.592285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.592285 (E_RNA)
where:
Base-Base interactions energy: -239.007
where: short stacking energy: -99.912
Base-Backbone interact. energy: -0.094
local terms energy: -121.490697
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -34.690
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: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -349.199820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.199820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.199820 (E_RNA)
where:
Base-Base interactions energy: -239.895
where: short stacking energy: -99.750
Base-Backbone interact. energy: -0.007
local terms energy: -109.297293
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -33.720
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: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -339.320352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.320352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.320352 (E_RNA)
where:
Base-Base interactions energy: -222.459
where: short stacking energy: -84.706
Base-Backbone interact. energy: -0.275
local terms energy: -116.586222
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -31.684
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: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -338.787028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.787028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.787028 (E_RNA)
where:
Base-Base interactions energy: -229.888
where: short stacking energy: -90.438
Base-Backbone interact. energy: 0.317
local terms energy: -109.216056
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -32.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -304.386992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.386992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.386992 (E_RNA)
where:
Base-Base interactions energy: -201.614
where: short stacking energy: -85.466
Base-Backbone interact. energy: 0.759
local terms energy: -103.532265
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -323.997479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.997479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.997479 (E_RNA)
where:
Base-Base interactions energy: -219.918
where: short stacking energy: -85.343
Base-Backbone interact. energy: -0.163
local terms energy: -103.915795
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -26.254
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -199.455046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.455046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.455046 (E_RNA)
where:
Base-Base interactions energy: -113.971
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.298
local terms energy: -85.186085
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -11.747
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: 201
Temperature: 1.300000
Total energy: -112.425363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.425363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.425363 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -30.088
Base-Backbone interact. energy: 0.588
local terms energy: -71.690346
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.782
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: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -94.389919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.389919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.389919 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -18.479
Base-Backbone interact. energy: 3.056
local terms energy: -58.198154
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -6.084
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: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -365.042427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.042427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.042427 (E_RNA)
where:
Base-Base interactions energy: -250.387
where: short stacking energy: -108.685
Base-Backbone interact. energy: -0.057
local terms energy: -114.598449
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -33.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -355.287399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.287399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.287399 (E_RNA)
where:
Base-Base interactions energy: -233.728
where: short stacking energy: -101.690
Base-Backbone interact. energy: -0.638
local terms energy: -120.921099
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -350.254358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.254358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.254358 (E_RNA)
where:
Base-Base interactions energy: -241.178
where: short stacking energy: -93.043
Base-Backbone interact. energy: 0.196
local terms energy: -109.272208
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -29.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -342.478269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.478269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.478269 (E_RNA)
where:
Base-Base interactions energy: -238.450
where: short stacking energy: -93.559
Base-Backbone interact. energy: -0.033
local terms energy: -103.995018
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -30.827
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: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -307.504530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.504530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.504530 (E_RNA)
where:
Base-Base interactions energy: -199.393
where: short stacking energy: -77.349
Base-Backbone interact. energy: -0.194
local terms energy: -107.917070
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -312.132198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.132198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.132198 (E_RNA)
where:
Base-Base interactions energy: -202.069
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.031
local terms energy: -110.032010
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -30.242
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: 202
Temperature: 1.200000
Total energy: -322.287029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.287029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.287029 (E_RNA)
where:
Base-Base interactions energy: -215.147
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.022
local terms energy: -107.118594
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -30.174
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -203.412688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.412688 (E_RNA)
where:
Base-Base interactions energy: -129.628
where: short stacking energy: -63.068
Base-Backbone interact. energy: 3.037
local terms energy: -76.821924
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -15.977
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: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -99.560482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560482 (E_RNA)
where:
Base-Base interactions energy: -27.959
where: short stacking energy: -25.333
Base-Backbone interact. energy: -0.078
local terms energy: -71.523765
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -95.161128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.161128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.161128 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.468
local terms energy: -61.344601
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -358.127876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.127876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.127876 (E_RNA)
where:
Base-Base interactions energy: -233.114
where: short stacking energy: -96.446
Base-Backbone interact. energy: -0.013
local terms energy: -125.001419
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -33.476
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -349.992261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.992261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.992261 (E_RNA)
where:
Base-Base interactions energy: -233.187
where: short stacking energy: -100.949
Base-Backbone interact. energy: -0.004
local terms energy: -116.800929
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -31.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -351.091982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.091982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.091982 (E_RNA)
where:
Base-Base interactions energy: -232.671
where: short stacking energy: -95.137
Base-Backbone interact. energy: 0.574
local terms energy: -118.994146
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -34.516
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: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -314.929304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.929304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.929304 (E_RNA)
where:
Base-Base interactions energy: -214.661
where: short stacking energy: -87.890
Base-Backbone interact. energy: -0.126
local terms energy: -100.142550
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -29.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -320.357321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.357321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.357321 (E_RNA)
where:
Base-Base interactions energy: -213.736
where: short stacking energy: -84.326
Base-Backbone interact. energy: -0.053
local terms energy: -106.567895
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -27.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -331.928748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.928748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.928748 (E_RNA)
where:
Base-Base interactions energy: -226.602
where: short stacking energy: -88.880
Base-Backbone interact. energy: -0.417
local terms energy: -104.909751
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -27.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -307.193340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.193340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.193340 (E_RNA)
where:
Base-Base interactions energy: -210.499
where: short stacking energy: -89.935
Base-Backbone interact. energy: -0.059
local terms energy: -96.634652
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -193.733038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.733038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.733038 (E_RNA)
where:
Base-Base interactions energy: -119.859
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.123
local terms energy: -73.751666
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -103.328974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.328974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.328974 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -23.980
Base-Backbone interact. energy: 0.373
local terms energy: -60.260375
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: 4.068
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -102.215603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.215603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.215603 (E_RNA)
where:
Base-Base interactions energy: -44.625
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.239
local terms energy: -57.351378
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -362.151113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.151113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.151113 (E_RNA)
where:
Base-Base interactions energy: -247.308
where: short stacking energy: -100.683
Base-Backbone interact. energy: -0.730
local terms energy: -114.113449
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -35.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -356.072325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.072325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.072325 (E_RNA)
where:
Base-Base interactions energy: -239.497
where: short stacking energy: -102.181
Base-Backbone interact. energy: -0.002
local terms energy: -116.573878
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -34.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -324.195144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.195144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.195144 (E_RNA)
where:
Base-Base interactions energy: -218.643
where: short stacking energy: -92.824
Base-Backbone interact. energy: -0.353
local terms energy: -105.198475
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -25.603
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: 204
Temperature: 1.050000
Total energy: -345.840166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.840166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.840166 (E_RNA)
where:
Base-Base interactions energy: -228.700
where: short stacking energy: -97.130
Base-Backbone interact. energy: -0.005
local terms energy: -117.135992
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -33.572
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -320.391333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.391333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.391333 (E_RNA)
where:
Base-Base interactions energy: -215.600
where: short stacking energy: -88.314
Base-Backbone interact. energy: -0.022
local terms energy: -104.769624
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -329.787129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.787129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.787129 (E_RNA)
where:
Base-Base interactions energy: -219.691
where: short stacking energy: -84.172
Base-Backbone interact. energy: -0.033
local terms energy: -110.062468
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -30.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -255.888269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.888269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.888269 (E_RNA)
where:
Base-Base interactions energy: -169.060
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.066
local terms energy: -86.761933
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -190.711843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.711843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.711843 (E_RNA)
where:
Base-Base interactions energy: -114.135
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.179
local terms energy: -76.397882
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -96.658714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.658714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.658714 (E_RNA)
where:
Base-Base interactions energy: -35.171
where: short stacking energy: -17.588
Base-Backbone interact. energy: -0.294
local terms energy: -61.193735
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -14.890
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: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -98.395489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.395489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.395489 (E_RNA)
where:
Base-Base interactions energy: -31.666
where: short stacking energy: -22.789
Base-Backbone interact. energy: -0.145
local terms energy: -66.584788
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -367.262813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.262813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.262813 (E_RNA)
where:
Base-Base interactions energy: -245.090
where: short stacking energy: -95.716
Base-Backbone interact. energy: -1.793
local terms energy: -120.379208
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -35.250
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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -360.065186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.065186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.065186 (E_RNA)
where:
Base-Base interactions energy: -241.672
where: short stacking energy: -102.320
Base-Backbone interact. energy: -0.008
local terms energy: -118.385867
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -32.926
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: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -332.304452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.304452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.304452 (E_RNA)
where:
Base-Base interactions energy: -227.236
where: short stacking energy: -90.127
Base-Backbone interact. energy: -0.204
local terms energy: -104.864206
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -24.133
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: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -341.025150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.025150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.025150 (E_RNA)
where:
Base-Base interactions energy: -224.177
where: short stacking energy: -89.346
Base-Backbone interact. energy: -0.005
local terms energy: -116.843498
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -31.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -327.945505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.945505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.945505 (E_RNA)
where:
Base-Base interactions energy: -224.340
where: short stacking energy: -81.167
Base-Backbone interact. energy: -0.045
local terms energy: -103.560576
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -266.765464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.765464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.765464 (E_RNA)
where:
Base-Base interactions energy: -171.968
where: short stacking energy: -73.745
Base-Backbone interact. energy: -0.251
local terms energy: -94.545890
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -25.348
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -320.572135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.572135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.572135 (E_RNA)
where:
Base-Base interactions energy: -209.786
where: short stacking energy: -86.130
Base-Backbone interact. energy: -0.001
local terms energy: -110.785248
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -32.475
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -209.414647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414647 (E_RNA)
where:
Base-Base interactions energy: -125.628
where: short stacking energy: -48.433
Base-Backbone interact. energy: 0.166
local terms energy: -83.952046
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -15.327
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: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -106.308901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.308901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.308901 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -17.325
Base-Backbone interact. energy: -0.484
local terms energy: -60.625086
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: 4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -97.915672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.915672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.915672 (E_RNA)
where:
Base-Base interactions energy: -29.129
where: short stacking energy: -21.483
Base-Backbone interact. energy: 5.095
local terms energy: -73.881620
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -9.107
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: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -360.891686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.891686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.891686 (E_RNA)
where:
Base-Base interactions energy: -242.359
where: short stacking energy: -101.068
Base-Backbone interact. energy: -1.861
local terms energy: -116.671682
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -36.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -354.314897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.314897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.314897 (E_RNA)
where:
Base-Base interactions energy: -245.960
where: short stacking energy: -102.059
Base-Backbone interact. energy: -0.096
local terms energy: -108.259616
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -29.006
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: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -355.798520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.798520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.798520 (E_RNA)
where:
Base-Base interactions energy: -248.202
where: short stacking energy: -98.692
Base-Backbone interact. energy: -0.011
local terms energy: -107.585749
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -30.170
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: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -347.052303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.052303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.052303 (E_RNA)
where:
Base-Base interactions energy: -238.835
where: short stacking energy: -101.469
Base-Backbone interact. energy: -0.087
local terms energy: -108.130139
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -29.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -320.021285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.021285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.021285 (E_RNA)
where:
Base-Base interactions energy: -221.654
where: short stacking energy: -88.048
Base-Backbone interact. energy: -0.069
local terms energy: -98.299169
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -285.451746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.451746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.451746 (E_RNA)
where:
Base-Base interactions energy: -189.809
where: short stacking energy: -76.654
Base-Backbone interact. energy: 0.458
local terms energy: -96.101165
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -316.125581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.125581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.125581 (E_RNA)
where:
Base-Base interactions energy: -217.736
where: short stacking energy: -88.218
Base-Backbone interact. energy: -0.014
local terms energy: -98.375228
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -239.918237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.918237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.918237 (E_RNA)
where:
Base-Base interactions energy: -152.575
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.064
local terms energy: -87.279187
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -102.010248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.010248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.010248 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -17.425
Base-Backbone interact. energy: -0.448
local terms energy: -59.303846
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -98.944806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.944806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.944806 (E_RNA)
where:
Base-Base interactions energy: -33.249
where: short stacking energy: -21.350
Base-Backbone interact. energy: 2.023
local terms energy: -67.719202
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -4.941
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -362.187370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.187370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.187370 (E_RNA)
where:
Base-Base interactions energy: -245.795
where: short stacking energy: -101.754
Base-Backbone interact. energy: -0.001
local terms energy: -116.391471
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -35.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -360.186782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.186782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.186782 (E_RNA)
where:
Base-Base interactions energy: -242.237
where: short stacking energy: -99.519
Base-Backbone interact. energy: -0.094
local terms energy: -117.856502
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -34.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -347.513373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.513373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.513373 (E_RNA)
where:
Base-Base interactions energy: -236.360
where: short stacking energy: -98.580
Base-Backbone interact. energy: -0.014
local terms energy: -111.139407
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -33.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -345.218171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.218171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.218171 (E_RNA)
where:
Base-Base interactions energy: -240.304
where: short stacking energy: -101.158
Base-Backbone interact. energy: 0.351
local terms energy: -105.264434
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -34.667
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -335.010318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.010318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.010318 (E_RNA)
where:
Base-Base interactions energy: -228.695
where: short stacking energy: -94.854
Base-Backbone interact. energy: -0.042
local terms energy: -106.273494
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -30.016
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -331.185248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.185248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.185248 (E_RNA)
where:
Base-Base interactions energy: -218.902
where: short stacking energy: -83.478
Base-Backbone interact. energy: -0.275
local terms energy: -112.008393
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -31.250
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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -253.608042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.608042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.608042 (E_RNA)
where:
Base-Base interactions energy: -160.327
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.432
local terms energy: -92.849331
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -248.395017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.395017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.395017 (E_RNA)
where:
Base-Base interactions energy: -156.048
where: short stacking energy: -58.339
Base-Backbone interact. energy: -1.680
local terms energy: -90.666424
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.429
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: 207
Temperature: 1.300000
Total energy: -110.007715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.007715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.007715 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.612
local terms energy: -65.077584
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -103.219002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219002 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -33.906
Base-Backbone interact. energy: 0.189
local terms energy: -63.703338
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.332
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: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -374.608532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.608532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.608532 (E_RNA)
where:
Base-Base interactions energy: -260.861
where: short stacking energy: -104.306
Base-Backbone interact. energy: -0.075
local terms energy: -113.673234
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -35.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -356.620872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.620872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.620872 (E_RNA)
where:
Base-Base interactions energy: -235.590
where: short stacking energy: -87.753
Base-Backbone interact. energy: 0.369
local terms energy: -121.399769
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -34.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -359.041218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.041218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.041218 (E_RNA)
where:
Base-Base interactions energy: -235.604
where: short stacking energy: -100.728
Base-Backbone interact. energy: -0.003
local terms energy: -123.434840
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -36.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -339.683855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.683855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.683855 (E_RNA)
where:
Base-Base interactions energy: -243.831
where: short stacking energy: -95.951
Base-Backbone interact. energy: 0.460
local terms energy: -96.312958
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -333.850579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.850579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.850579 (E_RNA)
where:
Base-Base interactions energy: -233.100
where: short stacking energy: -86.773
Base-Backbone interact. energy: -0.179
local terms energy: -100.570761
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -29.062
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: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -324.716452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.716452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.716452 (E_RNA)
where:
Base-Base interactions energy: -219.479
where: short stacking energy: -83.752
Base-Backbone interact. energy: -0.788
local terms energy: -104.450090
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -31.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -252.454809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.454809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.454809 (E_RNA)
where:
Base-Base interactions energy: -167.037
where: short stacking energy: -68.674
Base-Backbone interact. energy: 0.699
local terms energy: -86.116485
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -239.388307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.388307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.388307 (E_RNA)
where:
Base-Base interactions energy: -162.233
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.859
local terms energy: -76.296453
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -89.819516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.819516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.819516 (E_RNA)
where:
Base-Base interactions energy: -26.809
where: short stacking energy: -18.344
Base-Backbone interact. energy: -0.079
local terms energy: -62.931691
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.258
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: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -107.982954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.982954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.982954 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -35.039
Base-Backbone interact. energy: 0.020
local terms energy: -69.062120
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -366.174899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.174899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.174899 (E_RNA)
where:
Base-Base interactions energy: -255.885
where: short stacking energy: -103.319
Base-Backbone interact. energy: -0.360
local terms energy: -109.929800
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -34.011
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: 209
Temperature: 0.950000
Total energy: -362.197945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.197945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.197945 (E_RNA)
where:
Base-Base interactions energy: -238.940
where: short stacking energy: -101.969
Base-Backbone interact. energy: -0.103
local terms energy: -123.155621
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -34.697
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: 209
Temperature: 1.000000
Total energy: -352.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.065536 (E_RNA)
where:
Base-Base interactions energy: -244.000
where: short stacking energy: -100.840
Base-Backbone interact. energy: -0.070
local terms energy: -107.994988
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -346.048550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.048550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.048550 (E_RNA)
where:
Base-Base interactions energy: -234.235
where: short stacking energy: -100.781
Base-Backbone interact. energy: -0.101
local terms energy: -111.713134
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -33.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -310.843439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.843439 (E_RNA)
where:
Base-Base interactions energy: -207.193
where: short stacking energy: -82.627
Base-Backbone interact. energy: 0.208
local terms energy: -103.858934
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -27.767
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: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -328.999632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.999632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.999632 (E_RNA)
where:
Base-Base interactions energy: -231.861
where: short stacking energy: -90.183
Base-Backbone interact. energy: -0.002
local terms energy: -97.136651
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -27.309
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: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -261.011004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.011004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.011004 (E_RNA)
where:
Base-Base interactions energy: -170.458
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.098
local terms energy: -90.455454
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -19.816
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: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -250.564716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.564716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.564716 (E_RNA)
where:
Base-Base interactions energy: -165.220
where: short stacking energy: -72.648
Base-Backbone interact. energy: 0.663
local terms energy: -86.007814
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -99.866517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.866517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.866517 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -27.156
Base-Backbone interact. energy: 0.011
local terms energy: -60.074597
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -7.725
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: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -93.408004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.408004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.408004 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -28.703
Base-Backbone interact. energy: 1.460
local terms energy: -58.954986
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -362.868230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.868230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.868230 (E_RNA)
where:
Base-Base interactions energy: -249.714
where: short stacking energy: -104.041
Base-Backbone interact. energy: -0.290
local terms energy: -112.864529
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -31.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -348.026728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.026728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.026728 (E_RNA)
where:
Base-Base interactions energy: -234.325
where: short stacking energy: -90.910
Base-Backbone interact. energy: -0.186
local terms energy: -113.515407
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -29.835
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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -360.314106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.314106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.314106 (E_RNA)
where:
Base-Base interactions energy: -243.828
where: short stacking energy: -98.897
Base-Backbone interact. energy: -0.006
local terms energy: -116.480465
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -33.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -339.316318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.316318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.316318 (E_RNA)
where:
Base-Base interactions energy: -241.807
where: short stacking energy: -97.687
Base-Backbone interact. energy: -0.010
local terms energy: -97.499011
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -24.764
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: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -332.557803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.557803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.557803 (E_RNA)
where:
Base-Base interactions energy: -230.450
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.041
local terms energy: -102.066227
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -29.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -336.038584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.038584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.038584 (E_RNA)
where:
Base-Base interactions energy: -232.392
where: short stacking energy: -93.991
Base-Backbone interact. energy: -0.128
local terms energy: -103.518946
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -286.454007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.454007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.454007 (E_RNA)
where:
Base-Base interactions energy: -188.640
where: short stacking energy: -74.672
Base-Backbone interact. energy: -0.070
local terms energy: -97.744191
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -321.258459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.258459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.258459 (E_RNA)
where:
Base-Base interactions energy: -227.715
where: short stacking energy: -93.095
Base-Backbone interact. energy: -0.160
local terms energy: -93.383955
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -99.469424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.469424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.469424 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -15.065
Base-Backbone interact. energy: -0.422
local terms energy: -58.956558
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: 2.876
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: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -163.334970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.334970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.334970 (E_RNA)
where:
Base-Base interactions energy: -97.910
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.449
local terms energy: -64.975366
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -367.190823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.190823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.190823 (E_RNA)
where:
Base-Base interactions energy: -249.045
where: short stacking energy: -101.330
Base-Backbone interact. energy: 0.615
local terms energy: -118.760913
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -36.093
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: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -353.303143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.303143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.303143 (E_RNA)
where:
Base-Base interactions energy: -239.620
where: short stacking energy: -99.735
Base-Backbone interact. energy: -0.001
local terms energy: -113.682704
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -30.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -341.350577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.350577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.350577 (E_RNA)
where:
Base-Base interactions energy: -229.178
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.032
local terms energy: -112.139983
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -24.587
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -31.755
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: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -333.792221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.792221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.792221 (E_RNA)
where:
Base-Base interactions energy: -225.196
where: short stacking energy: -87.450
Base-Backbone interact. energy: 0.119
local terms energy: -108.715173
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -326.774500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.774500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.774500 (E_RNA)
where:
Base-Base interactions energy: -220.143
where: short stacking energy: -88.602
Base-Backbone interact. energy: -0.474
local terms energy: -106.158064
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -29.084
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: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -318.161665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.161665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.161665 (E_RNA)
where:
Base-Base interactions energy: -223.004
where: short stacking energy: -86.097
Base-Backbone interact. energy: 0.259
local terms energy: -95.416105
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -324.165570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.165570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.165570 (E_RNA)
where:
Base-Base interactions energy: -216.290
where: short stacking energy: -85.599
Base-Backbone interact. energy: -0.001
local terms energy: -107.874443
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -306.232196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.232196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.232196 (E_RNA)
where:
Base-Base interactions energy: -206.396
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.164
local terms energy: -99.672557
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -26.250
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: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -111.045311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.045311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.045311 (E_RNA)
where:
Base-Base interactions energy: -43.604
where: short stacking energy: -25.265
Base-Backbone interact. energy: 1.929
local terms energy: -69.371000
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: 3.148
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: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -157.221366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.221366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.221366 (E_RNA)
where:
Base-Base interactions energy: -78.637
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.210
local terms energy: -78.375006
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -368.153750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.153750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.153750 (E_RNA)
where:
Base-Base interactions energy: -252.112
where: short stacking energy: -105.516
Base-Backbone interact. energy: -0.000
local terms energy: -116.040961
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -350.719062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.719062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.719062 (E_RNA)
where:
Base-Base interactions energy: -229.630
where: short stacking energy: -95.072
Base-Backbone interact. energy: -0.624
local terms energy: -120.464447
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -33.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -359.102521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.102521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.102521 (E_RNA)
where:
Base-Base interactions energy: -235.992
where: short stacking energy: -93.548
Base-Backbone interact. energy: -0.008
local terms energy: -123.102343
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -349.660593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.660593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.660593 (E_RNA)
where:
Base-Base interactions energy: -239.269
where: short stacking energy: -90.944
Base-Backbone interact. energy: 1.176
local terms energy: -111.568305
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -31.771
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: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -345.615694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.615694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.615694 (E_RNA)
where:
Base-Base interactions energy: -235.724
where: short stacking energy: -90.737
Base-Backbone interact. energy: -0.188
local terms energy: -109.702850
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -331.636089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.636089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.636089 (E_RNA)
where:
Base-Base interactions energy: -226.603
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.011
local terms energy: -105.021879
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -29.333
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: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -324.788945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.788945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.788945 (E_RNA)
where:
Base-Base interactions energy: -223.646
where: short stacking energy: -88.428
Base-Backbone interact. energy: -0.002
local terms energy: -101.141262
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -30.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -313.326525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.326525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.326525 (E_RNA)
where:
Base-Base interactions energy: -214.888
where: short stacking energy: -87.838
Base-Backbone interact. energy: -0.055
local terms energy: -98.383273
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -30.532
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: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -102.355429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355429 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -26.052
Base-Backbone interact. energy: 1.670
local terms energy: -65.648686
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -6.666
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: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -97.643418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.643418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.643418 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.231
local terms energy: -60.865155
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -372.034679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.034679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.034679 (E_RNA)
where:
Base-Base interactions energy: -253.682
where: short stacking energy: -107.800
Base-Backbone interact. energy: -0.002
local terms energy: -118.350766
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -363.450478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.450478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.450478 (E_RNA)
where:
Base-Base interactions energy: -246.761
where: short stacking energy: -104.357
Base-Backbone interact. energy: -1.013
local terms energy: -115.676471
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -345.879766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.879766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.879766 (E_RNA)
where:
Base-Base interactions energy: -235.543
where: short stacking energy: -89.133
Base-Backbone interact. energy: -0.081
local terms energy: -110.256341
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -30.313
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: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -347.126092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.126092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.126092 (E_RNA)
where:
Base-Base interactions energy: -233.339
where: short stacking energy: -95.581
Base-Backbone interact. energy: -1.067
local terms energy: -112.719662
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -34.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -332.566572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.566572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.566572 (E_RNA)
where:
Base-Base interactions energy: -235.248
where: short stacking energy: -92.376
Base-Backbone interact. energy: 1.552
local terms energy: -98.871363
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -29.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -328.719674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.719674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.719674 (E_RNA)
where:
Base-Base interactions energy: -228.463
where: short stacking energy: -94.046
Base-Backbone interact. energy: -0.140
local terms energy: -100.116211
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -302.660931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.660931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.660931 (E_RNA)
where:
Base-Base interactions energy: -205.657
where: short stacking energy: -80.815
Base-Backbone interact. energy: -0.096
local terms energy: -96.908045
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -305.277318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.277318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.277318 (E_RNA)
where:
Base-Base interactions energy: -210.060
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.057
local terms energy: -95.160032
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -105.408238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408238 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -22.426
Base-Backbone interact. energy: -0.168
local terms energy: -74.539814
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -101.368966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.368966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.368966 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -35.753
Base-Backbone interact. energy: 2.666
local terms energy: -61.084947
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -367.359567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.359567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.359567 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -99.686
Base-Backbone interact. energy: -0.020
local terms energy: -117.070299
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -35.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -348.167399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.167399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.167399 (E_RNA)
where:
Base-Base interactions energy: -244.351
where: short stacking energy: -90.223
Base-Backbone interact. energy: -0.027
local terms energy: -103.788799
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -30.128
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: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -351.134322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.134322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.134322 (E_RNA)
where:
Base-Base interactions energy: -236.202
where: short stacking energy: -100.799
Base-Backbone interact. energy: -0.003
local terms energy: -114.928797
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -31.863
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -339.570967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.570967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.570967 (E_RNA)
where:
Base-Base interactions energy: -229.108
where: short stacking energy: -88.631
Base-Backbone interact. energy: -0.400
local terms energy: -110.063206
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -343.948249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.948249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.948249 (E_RNA)
where:
Base-Base interactions energy: -232.926
where: short stacking energy: -93.838
Base-Backbone interact. energy: -0.105
local terms energy: -110.917907
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -32.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -312.397038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.397038 (E_RNA)
where:
Base-Base interactions energy: -214.464
where: short stacking energy: -88.475
Base-Backbone interact. energy: -0.606
local terms energy: -97.326833
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -328.396394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.396394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.396394 (E_RNA)
where:
Base-Base interactions energy: -220.486
where: short stacking energy: -92.886
Base-Backbone interact. energy: -0.018
local terms energy: -107.893132
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -31.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -253.543450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.543450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.543450 (E_RNA)
where:
Base-Base interactions energy: -159.566
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.148
local terms energy: -93.830166
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -23.168
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: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -113.997557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.997557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.997557 (E_RNA)
where:
Base-Base interactions energy: -52.003
where: short stacking energy: -29.883
Base-Backbone interact. energy: -1.764
local terms energy: -60.229809
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -98.433631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.433631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.433631 (E_RNA)
where:
Base-Base interactions energy: -26.654
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.137
local terms energy: -71.643347
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -6.299
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: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -366.841851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.841851 (E_RNA)
where:
Base-Base interactions energy: -254.695
where: short stacking energy: -102.587
Base-Backbone interact. energy: 0.948
local terms energy: -113.095526
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -363.545494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.545494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.545494 (E_RNA)
where:
Base-Base interactions energy: -242.579
where: short stacking energy: -96.409
Base-Backbone interact. energy: -0.005
local terms energy: -120.961805
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -361.681589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.681589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.681589 (E_RNA)
where:
Base-Base interactions energy: -252.302
where: short stacking energy: -106.836
Base-Backbone interact. energy: -0.001
local terms energy: -109.378367
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -33.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -351.170830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.170830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.170830 (E_RNA)
where:
Base-Base interactions energy: -238.967
where: short stacking energy: -95.408
Base-Backbone interact. energy: -0.055
local terms energy: -112.148032
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -353.283306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.283306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.283306 (E_RNA)
where:
Base-Base interactions energy: -244.808
where: short stacking energy: -93.260
Base-Backbone interact. energy: -0.007
local terms energy: -108.468258
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -33.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -327.233424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.233424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.233424 (E_RNA)
where:
Base-Base interactions energy: -222.118
where: short stacking energy: -90.348
Base-Backbone interact. energy: -0.044
local terms energy: -105.071651
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -31.717
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: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -320.608283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.608283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.608283 (E_RNA)
where:
Base-Base interactions energy: -216.543
where: short stacking energy: -85.958
Base-Backbone interact. energy: -0.035
local terms energy: -104.030117
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -28.363
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: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -255.593641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.593641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.593641 (E_RNA)
where:
Base-Base interactions energy: -157.116
where: short stacking energy: -66.720
Base-Backbone interact. energy: 0.295
local terms energy: -98.772243
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -102.239775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.239775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.239775 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -27.887
Base-Backbone interact. energy: -0.239
local terms energy: -67.677405
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -110.166022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.166022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.166022 (E_RNA)
where:
Base-Base interactions energy: -44.457
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.528
local terms energy: -65.180956
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -4.749
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: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -356.210766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.210766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.210766 (E_RNA)
where:
Base-Base interactions energy: -241.833
where: short stacking energy: -95.871
Base-Backbone interact. energy: -1.691
local terms energy: -112.687408
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -31.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -368.214540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.214540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.214540 (E_RNA)
where:
Base-Base interactions energy: -246.598
where: short stacking energy: -95.448
Base-Backbone interact. energy: -0.002
local terms energy: -121.614541
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -348.352934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.352934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.352934 (E_RNA)
where:
Base-Base interactions energy: -228.462
where: short stacking energy: -91.081
Base-Backbone interact. energy: -0.002
local terms energy: -119.888792
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -37.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -342.120554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.120554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.120554 (E_RNA)
where:
Base-Base interactions energy: -229.184
where: short stacking energy: -88.172
Base-Backbone interact. energy: -0.320
local terms energy: -112.616566
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -321.441842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.441842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.441842 (E_RNA)
where:
Base-Base interactions energy: -216.564
where: short stacking energy: -92.985
Base-Backbone interact. energy: -0.168
local terms energy: -104.709027
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -31.425
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -331.480845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.480845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.480845 (E_RNA)
where:
Base-Base interactions energy: -217.259
where: short stacking energy: -94.092
Base-Backbone interact. energy: 0.290
local terms energy: -114.512103
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -30.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -291.432642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.432642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.432642 (E_RNA)
where:
Base-Base interactions energy: -198.039
where: short stacking energy: -79.971
Base-Backbone interact. energy: 0.071
local terms energy: -93.465114
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -22.782
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: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -315.000059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.000059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.000059 (E_RNA)
where:
Base-Base interactions energy: -217.227
where: short stacking energy: -86.262
Base-Backbone interact. energy: -0.617
local terms energy: -97.155821
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -27.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -105.105666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.105666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.105666 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.760
local terms energy: -66.392854
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -102.008947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.008947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.008947 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -23.566
Base-Backbone interact. energy: -0.337
local terms energy: -72.252136
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -352.324746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.324746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.324746 (E_RNA)
where:
Base-Base interactions energy: -234.170
where: short stacking energy: -95.741
Base-Backbone interact. energy: 0.262
local terms energy: -118.417431
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -354.823529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.823529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.823529 (E_RNA)
where:
Base-Base interactions energy: -246.803
where: short stacking energy: -102.701
Base-Backbone interact. energy: -0.008
local terms energy: -108.012298
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -33.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -349.659890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.659890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.659890 (E_RNA)
where:
Base-Base interactions energy: -234.875
where: short stacking energy: -91.899
Base-Backbone interact. energy: 0.833
local terms energy: -115.618339
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -347.279755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.279755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.279755 (E_RNA)
where:
Base-Base interactions energy: -235.436
where: short stacking energy: -96.816
Base-Backbone interact. energy: -0.009
local terms energy: -111.834849
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -338.338434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.338434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.338434 (E_RNA)
where:
Base-Base interactions energy: -232.416
where: short stacking energy: -90.853
Base-Backbone interact. energy: -1.019
local terms energy: -104.904131
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -303.650388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.650388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.650388 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -77.800
Base-Backbone interact. energy: -0.109
local terms energy: -101.924557
where:
bonds (distance) C4'-P energy: -21.930
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -301.863137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.863137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.863137 (E_RNA)
where:
Base-Base interactions energy: -202.952
where: short stacking energy: -75.590
Base-Backbone interact. energy: -0.171
local terms energy: -98.739680
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -296.005302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.005302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.005302 (E_RNA)
where:
Base-Base interactions energy: -206.435
where: short stacking energy: -82.009
Base-Backbone interact. energy: 0.729
local terms energy: -90.298810
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -18.130
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: 217
Temperature: 1.300000
Total energy: -93.274010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274010 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -33.596
Base-Backbone interact. energy: -0.469
local terms energy: -59.036972
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -7.315
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: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -101.633662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.633662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.633662 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -18.263
Base-Backbone interact. energy: 0.633
local terms energy: -72.963864
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: 4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -360.982855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.982855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.982855 (E_RNA)
where:
Base-Base interactions energy: -247.485
where: short stacking energy: -97.085
Base-Backbone interact. energy: -0.102
local terms energy: -113.395635
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -33.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -348.604901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.604901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.604901 (E_RNA)
where:
Base-Base interactions energy: -235.381
where: short stacking energy: -93.268
Base-Backbone interact. energy: -0.163
local terms energy: -113.060833
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -29.567
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -370.877335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.877335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.877335 (E_RNA)
where:
Base-Base interactions energy: -251.593
where: short stacking energy: -101.799
Base-Backbone interact. energy: 0.397
local terms energy: -119.681294
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -33.333
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -343.001292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.001292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.001292 (E_RNA)
where:
Base-Base interactions energy: -231.257
where: short stacking energy: -97.292
Base-Backbone interact. energy: -0.010
local terms energy: -111.734217
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -31.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -343.711140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.711140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.711140 (E_RNA)
where:
Base-Base interactions energy: -237.750
where: short stacking energy: -92.189
Base-Backbone interact. energy: -0.010
local terms energy: -105.950557
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -33.052
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: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -314.829734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.829734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.829734 (E_RNA)
where:
Base-Base interactions energy: -220.232
where: short stacking energy: -87.610
Base-Backbone interact. energy: -0.247
local terms energy: -94.351215
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -312.697288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.697288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.697288 (E_RNA)
where:
Base-Base interactions energy: -203.265
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.899
local terms energy: -108.533376
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -27.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -293.527531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.527531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.527531 (E_RNA)
where:
Base-Base interactions energy: -195.454
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.112
local terms energy: -97.961627
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -117.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.988718 (E_RNA)
where:
Base-Base interactions energy: -61.508
where: short stacking energy: -26.484
Base-Backbone interact. energy: -1.282
local terms energy: -55.198550
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -93.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.444349 (E_RNA)
where:
Base-Base interactions energy: -23.554
where: short stacking energy: -13.299
Base-Backbone interact. energy: 0.726
local terms energy: -70.616011
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -370.154176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.154176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.154176 (E_RNA)
where:
Base-Base interactions energy: -258.368
where: short stacking energy: -102.833
Base-Backbone interact. energy: -0.001
local terms energy: -111.784424
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -35.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -357.719449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.719449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.719449 (E_RNA)
where:
Base-Base interactions energy: -243.066
where: short stacking energy: -96.576
Base-Backbone interact. energy: -0.040
local terms energy: -114.613386
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -354.783532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.783532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.783532 (E_RNA)
where:
Base-Base interactions energy: -239.426
where: short stacking energy: -101.063
Base-Backbone interact. energy: -1.023
local terms energy: -114.334752
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -351.888455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.888455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.888455 (E_RNA)
where:
Base-Base interactions energy: -236.915
where: short stacking energy: -98.502
Base-Backbone interact. energy: -0.026
local terms energy: -114.947047
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -31.444
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -337.030306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.030306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.030306 (E_RNA)
where:
Base-Base interactions energy: -224.136
where: short stacking energy: -87.935
Base-Backbone interact. energy: -0.092
local terms energy: -112.802325
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -26.686
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: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -340.328833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.328833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.328833 (E_RNA)
where:
Base-Base interactions energy: -235.581
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.692
local terms energy: -104.056104
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -32.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -309.428884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.428884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.428884 (E_RNA)
where:
Base-Base interactions energy: -219.528
where: short stacking energy: -90.152
Base-Backbone interact. energy: -0.115
local terms energy: -89.786026
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -27.375
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: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -288.100624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.100624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.100624 (E_RNA)
where:
Base-Base interactions energy: -195.461
where: short stacking energy: -83.354
Base-Backbone interact. energy: -0.158
local terms energy: -92.481646
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -26.935
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: 219
Temperature: 1.300000
Total energy: -106.072078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.072078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.072078 (E_RNA)
where:
Base-Base interactions energy: -45.947
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.399
local terms energy: -59.726683
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -100.493669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.493669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.493669 (E_RNA)
where:
Base-Base interactions energy: -34.968
where: short stacking energy: -22.717
Base-Backbone interact. energy: -1.646
local terms energy: -63.879846
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.905
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: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -360.000153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.000153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.000153 (E_RNA)
where:
Base-Base interactions energy: -243.086
where: short stacking energy: -102.381
Base-Backbone interact. energy: -0.002
local terms energy: -116.911504
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -37.294
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: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -350.499993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.499993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.499993 (E_RNA)
where:
Base-Base interactions energy: -236.397
where: short stacking energy: -88.658
Base-Backbone interact. energy: -0.026
local terms energy: -114.076848
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -34.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -353.696270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.696270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.696270 (E_RNA)
where:
Base-Base interactions energy: -238.609
where: short stacking energy: -98.889
Base-Backbone interact. energy: -0.089
local terms energy: -114.998551
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -29.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -346.710048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.710048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.710048 (E_RNA)
where:
Base-Base interactions energy: -238.392
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.001
local terms energy: -108.317200
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -31.256
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: 220
Temperature: 1.100000
Total energy: -313.125580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.125580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.125580 (E_RNA)
where:
Base-Base interactions energy: -205.199
where: short stacking energy: -85.111
Base-Backbone interact. energy: -0.029
local terms energy: -107.898255
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -25.545
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: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -321.835873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.835873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.835873 (E_RNA)
where:
Base-Base interactions energy: -233.373
where: short stacking energy: -83.302
Base-Backbone interact. energy: -0.434
local terms energy: -88.029784
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -25.813
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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -313.077789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.077789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.077789 (E_RNA)
where:
Base-Base interactions energy: -211.042
where: short stacking energy: -76.610
Base-Backbone interact. energy: -0.420
local terms energy: -101.615779
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -297.297989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.297989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.297989 (E_RNA)
where:
Base-Base interactions energy: -197.890
where: short stacking energy: -74.340
Base-Backbone interact. energy: -0.201
local terms energy: -99.206793
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -95.399922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.399922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.399922 (E_RNA)
where:
Base-Base interactions energy: -31.000
where: short stacking energy: -18.353
Base-Backbone interact. energy: 1.641
local terms energy: -66.040816
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -104.023426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.023426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.023426 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -19.559
Base-Backbone interact. energy: -1.243
local terms energy: -64.966859
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -364.888703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.888703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.888703 (E_RNA)
where:
Base-Base interactions energy: -241.581
where: short stacking energy: -100.748
Base-Backbone interact. energy: -0.253
local terms energy: -123.054703
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -35.014
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -356.088088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.088088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.088088 (E_RNA)
where:
Base-Base interactions energy: -236.645
where: short stacking energy: -104.060
Base-Backbone interact. energy: -0.616
local terms energy: -118.826936
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -36.080
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: 221
Temperature: 1.000000
Total energy: -364.230891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.230891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.230891 (E_RNA)
where:
Base-Base interactions energy: -250.109
where: short stacking energy: -102.204
Base-Backbone interact. energy: 0.205
local terms energy: -114.327453
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -34.040
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: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -328.552808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.552808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552808 (E_RNA)
where:
Base-Base interactions energy: -222.942
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.214
local terms energy: -105.397265
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -25.899
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: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -341.084025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.084025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.084025 (E_RNA)
where:
Base-Base interactions energy: -228.262
where: short stacking energy: -90.727
Base-Backbone interact. energy: -0.208
local terms energy: -112.614171
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -31.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -320.071613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.071613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.071613 (E_RNA)
where:
Base-Base interactions energy: -227.140
where: short stacking energy: -83.672
Base-Backbone interact. energy: -0.907
local terms energy: -92.024763
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -330.565355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.565355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.565355 (E_RNA)
where:
Base-Base interactions energy: -219.662
where: short stacking energy: -90.611
Base-Backbone interact. energy: -1.187
local terms energy: -109.715646
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -32.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -302.200057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.200057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.200057 (E_RNA)
where:
Base-Base interactions energy: -206.550
where: short stacking energy: -78.974
Base-Backbone interact. energy: -0.123
local terms energy: -95.526990
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -28.776
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -115.196708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.196708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.196708 (E_RNA)
where:
Base-Base interactions energy: -51.017
where: short stacking energy: -42.177
Base-Backbone interact. energy: 3.742
local terms energy: -67.921561
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -6.443
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: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -108.910641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.910641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.910641 (E_RNA)
where:
Base-Base interactions energy: -47.430
where: short stacking energy: -22.435
Base-Backbone interact. energy: 1.513
local terms energy: -62.994212
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -7.989
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: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -368.160840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.160840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.160840 (E_RNA)
where:
Base-Base interactions energy: -252.443
where: short stacking energy: -104.005
Base-Backbone interact. energy: -0.638
local terms energy: -115.080113
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -32.782
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: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -356.483312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.483312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.483312 (E_RNA)
where:
Base-Base interactions energy: -243.037
where: short stacking energy: -94.408
Base-Backbone interact. energy: -0.004
local terms energy: -113.441595
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -30.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -341.516949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.516949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.516949 (E_RNA)
where:
Base-Base interactions energy: -235.290
where: short stacking energy: -84.733
Base-Backbone interact. energy: -0.009
local terms energy: -106.218073
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -29.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -351.883141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.883141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.883141 (E_RNA)
where:
Base-Base interactions energy: -234.835
where: short stacking energy: -87.413
Base-Backbone interact. energy: -0.019
local terms energy: -117.029419
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -34.459
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -336.684770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.684770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.684770 (E_RNA)
where:
Base-Base interactions energy: -224.299
where: short stacking energy: -92.304
Base-Backbone interact. energy: -1.015
local terms energy: -111.370372
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -317.340472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.340472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.340472 (E_RNA)
where:
Base-Base interactions energy: -220.226
where: short stacking energy: -93.166
Base-Backbone interact. energy: -0.314
local terms energy: -96.800686
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -30.939
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: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -310.574432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.574432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.574432 (E_RNA)
where:
Base-Base interactions energy: -217.381
where: short stacking energy: -86.615
Base-Backbone interact. energy: -0.032
local terms energy: -93.161417
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -31.747
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: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -310.134748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.134748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.134748 (E_RNA)
where:
Base-Base interactions energy: -210.649
where: short stacking energy: -76.453
Base-Backbone interact. energy: -0.085
local terms energy: -99.400582
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -103.830722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.830722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.830722 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -28.868
Base-Backbone interact. energy: -0.194
local terms energy: -71.253362
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -104.225671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.225671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.225671 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -27.269
Base-Backbone interact. energy: -1.203
local terms energy: -59.306941
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -366.606274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.606274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.606274 (E_RNA)
where:
Base-Base interactions energy: -249.729
where: short stacking energy: -101.140
Base-Backbone interact. energy: -0.003
local terms energy: -116.873858
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -354.371333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.371333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.371333 (E_RNA)
where:
Base-Base interactions energy: -236.355
where: short stacking energy: -98.406
Base-Backbone interact. energy: -0.005
local terms energy: -118.011006
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -333.126555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.126555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.126555 (E_RNA)
where:
Base-Base interactions energy: -217.887
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.010
local terms energy: -115.229712
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -29.241
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -353.343649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.343649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.343649 (E_RNA)
where:
Base-Base interactions energy: -239.483
where: short stacking energy: -98.211
Base-Backbone interact. energy: -0.727
local terms energy: -113.134197
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -33.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -342.038679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.038679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.038679 (E_RNA)
where:
Base-Base interactions energy: -232.850
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.004
local terms energy: -109.185535
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -29.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -310.714176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.714176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.714176 (E_RNA)
where:
Base-Base interactions energy: -209.745
where: short stacking energy: -78.514
Base-Backbone interact. energy: -0.172
local terms energy: -100.797077
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -299.825270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.825270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.825270 (E_RNA)
where:
Base-Base interactions energy: -211.215
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.037
local terms energy: -88.573003
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -295.280343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.280343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.280343 (E_RNA)
where:
Base-Base interactions energy: -207.335
where: short stacking energy: -80.711
Base-Backbone interact. energy: -0.097
local terms energy: -87.848673
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -108.167500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.167500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.167500 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -46.419
Base-Backbone interact. energy: 0.252
local terms energy: -62.000250
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -96.375419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.375419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.375419 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.184
local terms energy: -58.911821
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -367.281497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.281497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.281497 (E_RNA)
where:
Base-Base interactions energy: -250.051
where: short stacking energy: -102.188
Base-Backbone interact. energy: -0.076
local terms energy: -117.154556
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -364.618442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.618442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.618442 (E_RNA)
where:
Base-Base interactions energy: -246.710
where: short stacking energy: -101.221
Base-Backbone interact. energy: -0.013
local terms energy: -117.895408
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -35.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -359.473868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.473868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.473868 (E_RNA)
where:
Base-Base interactions energy: -244.809
where: short stacking energy: -102.691
Base-Backbone interact. energy: -0.079
local terms energy: -114.585737
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -33.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -325.973540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.973540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.973540 (E_RNA)
where:
Base-Base interactions energy: -216.221
where: short stacking energy: -93.997
Base-Backbone interact. energy: -0.026
local terms energy: -109.726896
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -32.110
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: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -337.107704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.107704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.107704 (E_RNA)
where:
Base-Base interactions energy: -228.022
where: short stacking energy: -88.836
Base-Backbone interact. energy: -0.600
local terms energy: -108.486020
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -330.107393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.107393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.107393 (E_RNA)
where:
Base-Base interactions energy: -219.959
where: short stacking energy: -83.978
Base-Backbone interact. energy: -0.240
local terms energy: -109.907947
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -28.973
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: 224
Temperature: 1.200000
Total energy: -278.251365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.251365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.251365 (E_RNA)
where:
Base-Base interactions energy: -186.167
where: short stacking energy: -78.538
Base-Backbone interact. energy: -0.173
local terms energy: -91.911575
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -22.292
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: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -293.479086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.479086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.479086 (E_RNA)
where:
Base-Base interactions energy: -199.231
where: short stacking energy: -78.402
Base-Backbone interact. energy: -0.192
local terms energy: -94.056449
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -116.061178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.061178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.061178 (E_RNA)
where:
Base-Base interactions energy: -37.744
where: short stacking energy: -25.530
Base-Backbone interact. energy: -1.468
local terms energy: -76.849003
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -95.766855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.766855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.766855 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -23.209
Base-Backbone interact. energy: -0.832
local terms energy: -62.635255
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: 6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -369.286229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.286229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.286229 (E_RNA)
where:
Base-Base interactions energy: -248.605
where: short stacking energy: -105.596
Base-Backbone interact. energy: -0.001
local terms energy: -120.680086
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -33.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -352.969387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.969387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.969387 (E_RNA)
where:
Base-Base interactions energy: -239.635
where: short stacking energy: -99.544
Base-Backbone interact. energy: -0.784
local terms energy: -112.549970
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -32.626
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -356.155033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.155033 (E_RNA)
where:
Base-Base interactions energy: -246.200
where: short stacking energy: -99.638
Base-Backbone interact. energy: -0.273
local terms energy: -109.681376
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -31.384
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: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -346.296655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.296655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.296655 (E_RNA)
where:
Base-Base interactions energy: -234.552
where: short stacking energy: -95.136
Base-Backbone interact. energy: -0.002
local terms energy: -111.742675
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -30.214
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: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -328.130904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.130904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.130904 (E_RNA)
where:
Base-Base interactions energy: -226.279
where: short stacking energy: -89.562
Base-Backbone interact. energy: 0.060
local terms energy: -101.911855
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -28.481
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: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -329.106021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.106021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.106021 (E_RNA)
where:
Base-Base interactions energy: -216.717
where: short stacking energy: -92.149
Base-Backbone interact. energy: -0.002
local terms energy: -112.387214
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -33.624
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: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -305.750035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.750035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.750035 (E_RNA)
where:
Base-Base interactions energy: -210.692
where: short stacking energy: -83.961
Base-Backbone interact. energy: 0.046
local terms energy: -95.104493
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -28.428
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: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -314.275330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.275330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.275330 (E_RNA)
where:
Base-Base interactions energy: -220.546
where: short stacking energy: -80.897
Base-Backbone interact. energy: -0.181
local terms energy: -93.547870
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -26.499
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: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -107.237245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.237245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.237245 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -25.286
Base-Backbone interact. energy: -0.512
local terms energy: -70.429872
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -12.445
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -96.046684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046684 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -28.996
Base-Backbone interact. energy: -0.203
local terms energy: -58.233640
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -357.718722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.718722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.718722 (E_RNA)
where:
Base-Base interactions energy: -239.666
where: short stacking energy: -97.616
Base-Backbone interact. energy: -0.009
local terms energy: -118.043490
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -30.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -359.954170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.954170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.954170 (E_RNA)
where:
Base-Base interactions energy: -238.132
where: short stacking energy: -95.821
Base-Backbone interact. energy: -0.021
local terms energy: -121.800784
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -349.937588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.937588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.937588 (E_RNA)
where:
Base-Base interactions energy: -237.055
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.005
local terms energy: -112.877299
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -350.351033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.351033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.351033 (E_RNA)
where:
Base-Base interactions energy: -238.750
where: short stacking energy: -101.169
Base-Backbone interact. energy: -0.004
local terms energy: -111.597490
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -33.308
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: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -345.889333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.889333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.889333 (E_RNA)
where:
Base-Base interactions energy: -237.202
where: short stacking energy: -100.820
Base-Backbone interact. energy: -0.006
local terms energy: -108.681444
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -34.249
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: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -326.963945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.963945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.963945 (E_RNA)
where:
Base-Base interactions energy: -217.897
where: short stacking energy: -79.506
Base-Backbone interact. energy: -0.014
local terms energy: -109.052751
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -31.317
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: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -320.147011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.147011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.147011 (E_RNA)
where:
Base-Base interactions energy: -218.838
where: short stacking energy: -82.789
Base-Backbone interact. energy: -0.124
local terms energy: -101.185559
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -28.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -297.917774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.917774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.917774 (E_RNA)
where:
Base-Base interactions energy: -202.318
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.022
local terms energy: -95.578268
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -25.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -115.252700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.252700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.252700 (E_RNA)
where:
Base-Base interactions energy: -50.343
where: short stacking energy: -30.567
Base-Backbone interact. energy: -0.094
local terms energy: -64.816476
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -94.906496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.906496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.906496 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -24.542
Base-Backbone interact. energy: -1.020
local terms energy: -62.242169
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: 2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -355.372638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.372638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.372638 (E_RNA)
where:
Base-Base interactions energy: -240.356
where: short stacking energy: -90.620
Base-Backbone interact. energy: -0.099
local terms energy: -114.917675
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -357.350568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.350568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.350568 (E_RNA)
where:
Base-Base interactions energy: -239.185
where: short stacking energy: -95.951
Base-Backbone interact. energy: -0.012
local terms energy: -118.154416
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -32.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -347.927104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.927104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.927104 (E_RNA)
where:
Base-Base interactions energy: -230.558
where: short stacking energy: -100.126
Base-Backbone interact. energy: -0.005
local terms energy: -117.363497
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -32.650
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -338.673121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.673121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.673121 (E_RNA)
where:
Base-Base interactions energy: -224.307
where: short stacking energy: -84.350
Base-Backbone interact. energy: -0.085
local terms energy: -114.281599
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -30.700
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -339.862235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.862235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.862235 (E_RNA)
where:
Base-Base interactions energy: -230.440
where: short stacking energy: -88.090
Base-Backbone interact. energy: 0.356
local terms energy: -109.778713
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -30.685
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: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -333.621162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.621162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.621162 (E_RNA)
where:
Base-Base interactions energy: -226.325
where: short stacking energy: -99.545
Base-Backbone interact. energy: 1.099
local terms energy: -108.395536
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -31.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -307.665179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.665179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.665179 (E_RNA)
where:
Base-Base interactions energy: -209.876
where: short stacking energy: -88.629
Base-Backbone interact. energy: 1.118
local terms energy: -98.907449
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -28.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -302.329656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.329656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.329656 (E_RNA)
where:
Base-Base interactions energy: -196.270
where: short stacking energy: -74.096
Base-Backbone interact. energy: -0.138
local terms energy: -105.921993
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -24.908
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: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -115.933839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.933839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.933839 (E_RNA)
where:
Base-Base interactions energy: -51.540
where: short stacking energy: -25.598
Base-Backbone interact. energy: -0.157
local terms energy: -64.236865
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: 4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -99.194200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.194200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.194200 (E_RNA)
where:
Base-Base interactions energy: -30.848
where: short stacking energy: -18.179
Base-Backbone interact. energy: -1.326
local terms energy: -67.020128
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -362.493649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.493649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.493649 (E_RNA)
where:
Base-Base interactions energy: -244.056
where: short stacking energy: -103.913
Base-Backbone interact. energy: -0.003
local terms energy: -118.434302
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -36.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -357.157277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.157277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.157277 (E_RNA)
where:
Base-Base interactions energy: -246.935
where: short stacking energy: -104.783
Base-Backbone interact. energy: -0.030
local terms energy: -110.192927
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -349.068925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.068925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.068925 (E_RNA)
where:
Base-Base interactions energy: -238.176
where: short stacking energy: -99.043
Base-Backbone interact. energy: -1.183
local terms energy: -109.710203
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -32.016
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: 228
Temperature: 1.050000
Total energy: -347.951298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.951298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.951298 (E_RNA)
where:
Base-Base interactions energy: -231.679
where: short stacking energy: -97.896
Base-Backbone interact. energy: 0.322
local terms energy: -116.593842
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -333.184808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.184808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.184808 (E_RNA)
where:
Base-Base interactions energy: -228.435
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.003
local terms energy: -104.747203
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -32.512
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: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -304.409797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.409797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.409797 (E_RNA)
where:
Base-Base interactions energy: -207.355
where: short stacking energy: -74.867
Base-Backbone interact. energy: 0.543
local terms energy: -97.597797
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -23.984
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: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -311.529076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.529076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.529076 (E_RNA)
where:
Base-Base interactions energy: -217.128
where: short stacking energy: -89.435
Base-Backbone interact. energy: -0.146
local terms energy: -94.255174
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -27.564
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -294.899446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.899446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.899446 (E_RNA)
where:
Base-Base interactions energy: -204.841
where: short stacking energy: -79.487
Base-Backbone interact. energy: -0.034
local terms energy: -90.024638
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -98.179173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.179173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.179173 (E_RNA)
where:
Base-Base interactions energy: -36.582
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.364
local terms energy: -61.232571
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -2.929
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: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -96.589538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.589538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.589538 (E_RNA)
where:
Base-Base interactions energy: -25.520
where: short stacking energy: -23.566
Base-Backbone interact. energy: -1.946
local terms energy: -69.124137
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -365.863514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.863514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.863514 (E_RNA)
where:
Base-Base interactions energy: -243.774
where: short stacking energy: -102.469
Base-Backbone interact. energy: -0.017
local terms energy: -122.072721
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -353.124078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.124078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.124078 (E_RNA)
where:
Base-Base interactions energy: -244.739
where: short stacking energy: -102.704
Base-Backbone interact. energy: -0.056
local terms energy: -108.328329
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -31.729
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: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -352.463868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.463868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.463868 (E_RNA)
where:
Base-Base interactions energy: -240.369
where: short stacking energy: -87.994
Base-Backbone interact. energy: -0.725
local terms energy: -111.370423
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -29.501
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: 229
Temperature: 1.050000
Total energy: -318.371052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.371052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.371052 (E_RNA)
where:
Base-Base interactions energy: -210.061
where: short stacking energy: -87.621
Base-Backbone interact. energy: -0.226
local terms energy: -108.083651
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -345.616978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.616978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.616978 (E_RNA)
where:
Base-Base interactions energy: -230.396
where: short stacking energy: -92.253
Base-Backbone interact. energy: -0.306
local terms energy: -114.915719
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -341.347496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.347496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.347496 (E_RNA)
where:
Base-Base interactions energy: -233.950
where: short stacking energy: -93.719
Base-Backbone interact. energy: -0.102
local terms energy: -107.295224
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -299.409871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.409871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.409871 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -78.794
Base-Backbone interact. energy: -0.731
local terms energy: -103.481963
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -29.516
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: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -289.813235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.813235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.813235 (E_RNA)
where:
Base-Base interactions energy: -193.570
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.707
local terms energy: -95.536513
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -21.540
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: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -116.436686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.436686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.436686 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -31.938
Base-Backbone interact. energy: -0.197
local terms energy: -74.127054
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -96.526272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.526272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.526272 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -22.869
Base-Backbone interact. energy: -0.283
local terms energy: -61.649228
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: 0.057
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: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -368.775166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.775166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.775166 (E_RNA)
where:
Base-Base interactions energy: -255.567
where: short stacking energy: -105.580
Base-Backbone interact. energy: -0.032
local terms energy: -113.176165
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -31.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -358.821865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.821865 (E_RNA)
where:
Base-Base interactions energy: -242.887
where: short stacking energy: -97.949
Base-Backbone interact. energy: -0.383
local terms energy: -115.551182
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -35.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -351.117999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.117999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.117999 (E_RNA)
where:
Base-Base interactions energy: -235.562
where: short stacking energy: -99.320
Base-Backbone interact. energy: -0.003
local terms energy: -115.553426
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -326.362865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.362865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.362865 (E_RNA)
where:
Base-Base interactions energy: -222.816
where: short stacking energy: -91.586
Base-Backbone interact. energy: -0.024
local terms energy: -103.523001
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -340.310112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.310112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.310112 (E_RNA)
where:
Base-Base interactions energy: -232.045
where: short stacking energy: -91.038
Base-Backbone interact. energy: -0.048
local terms energy: -108.216891
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -30.944
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: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -343.032559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.032559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.032559 (E_RNA)
where:
Base-Base interactions energy: -240.002
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.001
local terms energy: -103.029580
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -282.706906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.706906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.706906 (E_RNA)
where:
Base-Base interactions energy: -188.793
where: short stacking energy: -73.669
Base-Backbone interact. energy: 0.349
local terms energy: -94.263013
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -309.846124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.846124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.846124 (E_RNA)
where:
Base-Base interactions energy: -215.077
where: short stacking energy: -89.785
Base-Backbone interact. energy: 0.653
local terms energy: -95.422576
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -30.278
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: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -96.648407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.648407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.648407 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -30.122
Base-Backbone interact. energy: -0.343
local terms energy: -61.346112
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.372
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: 230
Temperature: 1.350000
Total energy: -97.955961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.955961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.955961 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.509
local terms energy: -66.830628
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -370.864813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.864813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.864813 (E_RNA)
where:
Base-Base interactions energy: -251.097
where: short stacking energy: -102.711
Base-Backbone interact. energy: -0.277
local terms energy: -119.490365
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -33.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -352.552484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.552484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.552484 (E_RNA)
where:
Base-Base interactions energy: -239.453
where: short stacking energy: -97.043
Base-Backbone interact. energy: -0.001
local terms energy: -113.098426
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -30.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -347.225286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.225286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.225286 (E_RNA)
where:
Base-Base interactions energy: -241.157
where: short stacking energy: -101.505
Base-Backbone interact. energy: -1.588
local terms energy: -104.480425
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -33.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -340.303964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.303964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.303964 (E_RNA)
where:
Base-Base interactions energy: -234.264
where: short stacking energy: -92.365
Base-Backbone interact. energy: -0.418
local terms energy: -105.621851
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -30.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -329.489019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.489019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.489019 (E_RNA)
where:
Base-Base interactions energy: -223.384
where: short stacking energy: -93.307
Base-Backbone interact. energy: 0.689
local terms energy: -106.794402
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -30.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -294.281502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.281502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.281502 (E_RNA)
where:
Base-Base interactions energy: -195.409
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.115
local terms energy: -98.757055
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -323.328320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.328320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.328320 (E_RNA)
where:
Base-Base interactions energy: -222.525
where: short stacking energy: -93.066
Base-Backbone interact. energy: -0.014
local terms energy: -100.790073
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -30.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -299.517851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.517851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.517851 (E_RNA)
where:
Base-Base interactions energy: -209.337
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.252
local terms energy: -89.928588
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -98.675365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.675365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.675365 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -25.108
Base-Backbone interact. energy: -0.358
local terms energy: -67.484082
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -104.163071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.163071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.163071 (E_RNA)
where:
Base-Base interactions energy: -46.544
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.577
local terms energy: -57.042208
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -373.233676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.233676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.233676 (E_RNA)
where:
Base-Base interactions energy: -257.844
where: short stacking energy: -112.632
Base-Backbone interact. energy: -0.073
local terms energy: -115.316997
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -358.441496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.441496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.441496 (E_RNA)
where:
Base-Base interactions energy: -249.863
where: short stacking energy: -95.009
Base-Backbone interact. energy: -0.016
local terms energy: -108.563106
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -31.917
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -351.341547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.341547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.341547 (E_RNA)
where:
Base-Base interactions energy: -231.032
where: short stacking energy: -97.968
Base-Backbone interact. energy: -2.063
local terms energy: -118.246523
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -33.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -351.187455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.187455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.187455 (E_RNA)
where:
Base-Base interactions energy: -237.388
where: short stacking energy: -94.519
Base-Backbone interact. energy: -0.001
local terms energy: -113.799154
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -34.104
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: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -314.803956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.803956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.803956 (E_RNA)
where:
Base-Base interactions energy: -215.844
where: short stacking energy: -95.063
Base-Backbone interact. energy: -0.703
local terms energy: -98.256985
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -29.019
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: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -310.005652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.005652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.005652 (E_RNA)
where:
Base-Base interactions energy: -207.697
where: short stacking energy: -80.233
Base-Backbone interact. energy: -0.230
local terms energy: -102.078331
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -24.934
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: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -324.084272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.084272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.084272 (E_RNA)
where:
Base-Base interactions energy: -224.356
where: short stacking energy: -84.542
Base-Backbone interact. energy: -0.140
local terms energy: -99.588297
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -31.051
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: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -283.502889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.502889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.502889 (E_RNA)
where:
Base-Base interactions energy: -188.203
where: short stacking energy: -79.796
Base-Backbone interact. energy: -0.646
local terms energy: -94.653324
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -102.374354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.374354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.374354 (E_RNA)
where:
Base-Base interactions energy: -38.766
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.267
local terms energy: -63.341207
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -23.316
flat angles P-C4'-P energy: -4.114
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: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -93.073879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.073879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.073879 (E_RNA)
where:
Base-Base interactions energy: -23.790
where: short stacking energy: -21.608
Base-Backbone interact. energy: -0.531
local terms energy: -68.752518
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -371.351415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.351415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.351415 (E_RNA)
where:
Base-Base interactions energy: -246.573
where: short stacking energy: -99.683
Base-Backbone interact. energy: -0.019
local terms energy: -124.759971
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -364.609891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.609891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.609891 (E_RNA)
where:
Base-Base interactions energy: -247.184
where: short stacking energy: -104.026
Base-Backbone interact. energy: 0.741
local terms energy: -118.167255
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -32.605
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -352.069377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.069377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.069377 (E_RNA)
where:
Base-Base interactions energy: -245.245
where: short stacking energy: -98.179
Base-Backbone interact. energy: 0.655
local terms energy: -107.478935
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -36.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -343.990721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.990721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.990721 (E_RNA)
where:
Base-Base interactions energy: -237.716
where: short stacking energy: -104.340
Base-Backbone interact. energy: -0.867
local terms energy: -105.407815
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -34.617
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: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -317.748608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.748608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.748608 (E_RNA)
where:
Base-Base interactions energy: -215.512
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.855
local terms energy: -101.381477
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -27.343
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -310.985074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.985074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.985074 (E_RNA)
where:
Base-Base interactions energy: -206.971
where: short stacking energy: -86.553
Base-Backbone interact. energy: -0.069
local terms energy: -103.945215
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -320.011663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.011663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.011663 (E_RNA)
where:
Base-Base interactions energy: -224.367
where: short stacking energy: -88.908
Base-Backbone interact. energy: 1.012
local terms energy: -96.656499
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -288.565479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.565479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.565479 (E_RNA)
where:
Base-Base interactions energy: -194.023
where: short stacking energy: -75.380
Base-Backbone interact. energy: 1.394
local terms energy: -95.936392
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -103.467985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.467985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.467985 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.540
local terms energy: -63.349063
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -13.468
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: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -100.732683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732683 (E_RNA)
where:
Base-Base interactions energy: -34.025
where: short stacking energy: -28.760
Base-Backbone interact. energy: -1.521
local terms energy: -65.186161
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: 4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -363.962742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.962742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.962742 (E_RNA)
where:
Base-Base interactions energy: -249.086
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.003
local terms energy: -114.874121
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -361.133216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.133216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.133216 (E_RNA)
where:
Base-Base interactions energy: -243.269
where: short stacking energy: -98.818
Base-Backbone interact. energy: -0.108
local terms energy: -117.756267
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -34.699
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: 234
Temperature: 1.000000
Total energy: -350.802787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.802787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.802787 (E_RNA)
where:
Base-Base interactions energy: -237.679
where: short stacking energy: -95.714
Base-Backbone interact. energy: -0.034
local terms energy: -113.090178
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -34.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -344.049674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.049674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.049674 (E_RNA)
where:
Base-Base interactions energy: -237.957
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.052
local terms energy: -106.040945
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -32.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -332.117270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.117270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.117270 (E_RNA)
where:
Base-Base interactions energy: -223.516
where: short stacking energy: -87.664
Base-Backbone interact. energy: 0.208
local terms energy: -108.809402
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -29.310
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: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -309.337030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.337030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.337030 (E_RNA)
where:
Base-Base interactions energy: -211.791
where: short stacking energy: -85.399
Base-Backbone interact. energy: -0.123
local terms energy: -97.423018
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -287.390108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.390108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.390108 (E_RNA)
where:
Base-Base interactions energy: -193.818
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.314
local terms energy: -93.258769
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -309.643969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.643969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.643969 (E_RNA)
where:
Base-Base interactions energy: -220.132
where: short stacking energy: -88.099
Base-Backbone interact. energy: 0.035
local terms energy: -89.547038
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -30.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -107.355336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.355336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.355336 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.303
local terms energy: -66.375677
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -94.680706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.680706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.680706 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -13.457
Base-Backbone interact. energy: 1.509
local terms energy: -62.992111
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -13.668
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -371.055311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.055311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.055311 (E_RNA)
where:
Base-Base interactions energy: -259.234
where: short stacking energy: -98.411
Base-Backbone interact. energy: -0.320
local terms energy: -111.501688
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -34.289
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: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -357.253576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.253576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.253576 (E_RNA)
where:
Base-Base interactions energy: -245.169
where: short stacking energy: -98.757
Base-Backbone interact. energy: -0.036
local terms energy: -112.048811
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -31.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -360.896208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.896208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.896208 (E_RNA)
where:
Base-Base interactions energy: -257.624
where: short stacking energy: -100.042
Base-Backbone interact. energy: -0.006
local terms energy: -103.265719
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -33.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -343.154127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.154127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.154127 (E_RNA)
where:
Base-Base interactions energy: -240.863
where: short stacking energy: -95.171
Base-Backbone interact. energy: -0.477
local terms energy: -101.814509
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -341.680365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.680365 (E_RNA)
where:
Base-Base interactions energy: -224.723
where: short stacking energy: -83.658
Base-Backbone interact. energy: -0.249
local terms energy: -116.707952
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -31.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -296.492686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.492686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.492686 (E_RNA)
where:
Base-Base interactions energy: -201.140
where: short stacking energy: -77.773
Base-Backbone interact. energy: -1.324
local terms energy: -94.028008
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -291.436697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.436697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.436697 (E_RNA)
where:
Base-Base interactions energy: -199.823
where: short stacking energy: -78.394
Base-Backbone interact. energy: 0.596
local terms energy: -92.210190
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -307.132330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.132330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.132330 (E_RNA)
where:
Base-Base interactions energy: -221.237
where: short stacking energy: -86.702
Base-Backbone interact. energy: -0.013
local terms energy: -85.881795
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -28.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -102.368813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.368813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.368813 (E_RNA)
where:
Base-Base interactions energy: -34.715
where: short stacking energy: -29.329
Base-Backbone interact. energy: -0.950
local terms energy: -66.703147
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -98.374751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.374751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.374751 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -18.902
Base-Backbone interact. energy: 5.475
local terms energy: -64.045370
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: 5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -365.665318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.665318 (E_RNA)
where:
Base-Base interactions energy: -243.046
where: short stacking energy: -102.705
Base-Backbone interact. energy: -0.104
local terms energy: -122.515450
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -33.527
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: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -353.146074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.146074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.146074 (E_RNA)
where:
Base-Base interactions energy: -230.929
where: short stacking energy: -91.290
Base-Backbone interact. energy: -0.123
local terms energy: -122.094273
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -350.622640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.622640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.622640 (E_RNA)
where:
Base-Base interactions energy: -233.348
where: short stacking energy: -93.838
Base-Backbone interact. energy: 0.080
local terms energy: -117.354688
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -32.441
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: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -342.630582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.630582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.630582 (E_RNA)
where:
Base-Base interactions energy: -232.804
where: short stacking energy: -98.964
Base-Backbone interact. energy: -0.070
local terms energy: -109.756992
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -32.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -332.860654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.860654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.860654 (E_RNA)
where:
Base-Base interactions energy: -219.518
where: short stacking energy: -84.497
Base-Backbone interact. energy: 0.580
local terms energy: -113.922533
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -295.286391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.286391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.286391 (E_RNA)
where:
Base-Base interactions energy: -196.866
where: short stacking energy: -77.777
Base-Backbone interact. energy: -0.149
local terms energy: -98.270966
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -320.041595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.041595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.041595 (E_RNA)
where:
Base-Base interactions energy: -212.517
where: short stacking energy: -86.120
Base-Backbone interact. energy: -0.024
local terms energy: -107.500326
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -30.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -309.056923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.056923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.056923 (E_RNA)
where:
Base-Base interactions energy: -207.095
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.277
local terms energy: -101.685508
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -107.488864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488864 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -16.633
Base-Backbone interact. energy: -0.329
local terms energy: -66.334427
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -4.463
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: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -108.209228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.209228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.209228 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -19.621
Base-Backbone interact. energy: -0.085
local terms energy: -77.339684
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -12.898
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: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -366.493817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.493817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.493817 (E_RNA)
where:
Base-Base interactions energy: -253.320
where: short stacking energy: -102.634
Base-Backbone interact. energy: -0.021
local terms energy: -113.153293
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -359.048135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.048135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.048135 (E_RNA)
where:
Base-Base interactions energy: -241.374
where: short stacking energy: -98.829
Base-Backbone interact. energy: -0.311
local terms energy: -117.362901
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -34.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -342.251569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.251569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.251569 (E_RNA)
where:
Base-Base interactions energy: -232.450
where: short stacking energy: -92.645
Base-Backbone interact. energy: -0.084
local terms energy: -109.716754
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -29.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -345.439430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.439430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.439430 (E_RNA)
where:
Base-Base interactions energy: -233.362
where: short stacking energy: -91.226
Base-Backbone interact. energy: 0.526
local terms energy: -112.603115
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -31.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -341.926337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.926337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.926337 (E_RNA)
where:
Base-Base interactions energy: -228.030
where: short stacking energy: -91.390
Base-Backbone interact. energy: -0.014
local terms energy: -113.881803
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -32.277
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -294.791043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.791043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.791043 (E_RNA)
where:
Base-Base interactions energy: -188.531
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.239
local terms energy: -106.020846
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -302.167384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.167384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.167384 (E_RNA)
where:
Base-Base interactions energy: -203.098
where: short stacking energy: -78.707
Base-Backbone interact. energy: -0.002
local terms energy: -99.067159
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -271.131921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.131921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.131921 (E_RNA)
where:
Base-Base interactions energy: -173.927
where: short stacking energy: -74.662
Base-Backbone interact. energy: -0.011
local terms energy: -97.194483
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -22.908
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: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -97.696836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.696836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.696836 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -21.138
Base-Backbone interact. energy: -0.550
local terms energy: -57.786829
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.135
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: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -91.622282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.622282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.622282 (E_RNA)
where:
Base-Base interactions energy: -28.147
where: short stacking energy: -23.611
Base-Backbone interact. energy: -0.919
local terms energy: -62.556187
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: 5.204
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: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -359.951782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.951782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.951782 (E_RNA)
where:
Base-Base interactions energy: -242.538
where: short stacking energy: -103.516
Base-Backbone interact. energy: -0.009
local terms energy: -117.405234
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -35.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -365.424236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.424236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.424236 (E_RNA)
where:
Base-Base interactions energy: -245.640
where: short stacking energy: -97.363
Base-Backbone interact. energy: 0.087
local terms energy: -119.871327
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -353.522930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.522930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.522930 (E_RNA)
where:
Base-Base interactions energy: -237.157
where: short stacking energy: -92.808
Base-Backbone interact. energy: -0.002
local terms energy: -116.363532
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -32.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -331.936080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.936080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.936080 (E_RNA)
where:
Base-Base interactions energy: -226.499
where: short stacking energy: -85.711
Base-Backbone interact. energy: 1.070
local terms energy: -106.507471
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -340.300984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.300984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.300984 (E_RNA)
where:
Base-Base interactions energy: -229.703
where: short stacking energy: -87.102
Base-Backbone interact. energy: -1.087
local terms energy: -109.511307
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -30.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -318.999768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.999768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.999768 (E_RNA)
where:
Base-Base interactions energy: -210.141
where: short stacking energy: -78.973
Base-Backbone interact. energy: -0.031
local terms energy: -108.828024
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -26.837
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: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -309.343201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.343201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.343201 (E_RNA)
where:
Base-Base interactions energy: -210.615
where: short stacking energy: -82.659
Base-Backbone interact. energy: -0.116
local terms energy: -98.612807
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -265.571662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.571662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.571662 (E_RNA)
where:
Base-Base interactions energy: -171.103
where: short stacking energy: -67.840
Base-Backbone interact. energy: 1.103
local terms energy: -95.570982
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -111.473303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.473303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.473303 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.212
local terms energy: -65.080959
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -2.397
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: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -102.274891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.274891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.274891 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.259
local terms energy: -69.766567
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -1.483
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: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -358.623914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.623914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.623914 (E_RNA)
where:
Base-Base interactions energy: -232.372
where: short stacking energy: -99.303
Base-Backbone interact. energy: -0.793
local terms energy: -125.459025
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -34.005
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: 239
Temperature: 0.950000
Total energy: -358.202318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.202318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.202318 (E_RNA)
where:
Base-Base interactions energy: -241.582
where: short stacking energy: -101.521
Base-Backbone interact. energy: -0.002
local terms energy: -116.619246
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -343.763543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.763543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.763543 (E_RNA)
where:
Base-Base interactions energy: -230.298
where: short stacking energy: -92.725
Base-Backbone interact. energy: -0.006
local terms energy: -113.459894
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -336.646939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.646939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.646939 (E_RNA)
where:
Base-Base interactions energy: -228.440
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.009
local terms energy: -108.198145
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -31.588
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: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -309.742496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.742496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.742496 (E_RNA)
where:
Base-Base interactions energy: -212.637
where: short stacking energy: -83.372
Base-Backbone interact. energy: 0.997
local terms energy: -98.102362
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -331.898380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.898380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.898380 (E_RNA)
where:
Base-Base interactions energy: -226.410
where: short stacking energy: -94.590
Base-Backbone interact. energy: -0.015
local terms energy: -105.473249
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -29.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -325.062561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.062561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.062561 (E_RNA)
where:
Base-Base interactions energy: -225.263
where: short stacking energy: -84.435
Base-Backbone interact. energy: -0.004
local terms energy: -99.795184
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -27.795
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: 239
Temperature: 1.250000
Total energy: -290.445217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.445217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.445217 (E_RNA)
where:
Base-Base interactions energy: -190.200
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.175
local terms energy: -100.069958
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -103.638820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.638820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.638820 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -27.755
Base-Backbone interact. energy: 1.954
local terms energy: -61.765695
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: 1.481
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -103.606062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606062 (E_RNA)
where:
Base-Base interactions energy: -51.439
where: short stacking energy: -20.197
Base-Backbone interact. energy: 0.369
local terms energy: -52.536075
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.923
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: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -366.584726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.584726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.584726 (E_RNA)
where:
Base-Base interactions energy: -243.718
where: short stacking energy: -101.223
Base-Backbone interact. energy: -0.028
local terms energy: -122.839282
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -35.229
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: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -357.414974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.414974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.414974 (E_RNA)
where:
Base-Base interactions energy: -241.221
where: short stacking energy: -99.941
Base-Backbone interact. energy: -0.010
local terms energy: -116.184206
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -344.778691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.778691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.778691 (E_RNA)
where:
Base-Base interactions energy: -227.496
where: short stacking energy: -89.394
Base-Backbone interact. energy: -0.095
local terms energy: -117.187062
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -31.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -345.156490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.156490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.156490 (E_RNA)
where:
Base-Base interactions energy: -239.522
where: short stacking energy: -100.010
Base-Backbone interact. energy: 0.739
local terms energy: -106.374166
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -33.216
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -328.755773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.755773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.755773 (E_RNA)
where:
Base-Base interactions energy: -224.986
where: short stacking energy: -90.371
Base-Backbone interact. energy: 0.269
local terms energy: -104.038664
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -324.267669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.267669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.267669 (E_RNA)
where:
Base-Base interactions energy: -224.660
where: short stacking energy: -88.980
Base-Backbone interact. energy: 0.945
local terms energy: -100.552936
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -30.115
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: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -301.270354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.270354 (E_RNA)
where:
Base-Base interactions energy: -200.160
where: short stacking energy: -82.444
Base-Backbone interact. energy: -0.133
local terms energy: -100.977471
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -315.178839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.178839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.178839 (E_RNA)
where:
Base-Base interactions energy: -216.122
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.019
local terms energy: -99.037610
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -28.466
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: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -97.380507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.380507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.380507 (E_RNA)
where:
Base-Base interactions energy: -37.479
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.416
local terms energy: -59.485422
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -0.502
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: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -94.437134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437134 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.417
local terms energy: -59.017173
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -356.302547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.302547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.302547 (E_RNA)
where:
Base-Base interactions energy: -238.694
where: short stacking energy: -89.822
Base-Backbone interact. energy: -0.010
local terms energy: -117.597940
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -28.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -351.128381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.128381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.128381 (E_RNA)
where:
Base-Base interactions energy: -236.078
where: short stacking energy: -94.523
Base-Backbone interact. energy: -0.286
local terms energy: -114.763861
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -30.473
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: 241
Temperature: 1.000000
Total energy: -350.266287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.266287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.266287 (E_RNA)
where:
Base-Base interactions energy: -239.797
where: short stacking energy: -101.607
Base-Backbone interact. energy: -0.010
local terms energy: -110.459253
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -332.279824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.279824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.279824 (E_RNA)
where:
Base-Base interactions energy: -228.463
where: short stacking energy: -97.529
Base-Backbone interact. energy: -0.070
local terms energy: -103.746386
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -31.625
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -346.968653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.968653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.968653 (E_RNA)
where:
Base-Base interactions energy: -232.426
where: short stacking energy: -95.426
Base-Backbone interact. energy: -0.086
local terms energy: -114.456501
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -31.259
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: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -333.426302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.426302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.426302 (E_RNA)
where:
Base-Base interactions energy: -229.861
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.066
local terms energy: -103.499339
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -30.536
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: 241
Temperature: 1.200000
Total energy: -298.288167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.288167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.288167 (E_RNA)
where:
Base-Base interactions energy: -201.108
where: short stacking energy: -81.880
Base-Backbone interact. energy: -0.037
local terms energy: -97.142982
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -28.139
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: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -280.043557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.043557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.043557 (E_RNA)
where:
Base-Base interactions energy: -194.043
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.088
local terms energy: -85.912949
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -102.498730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498730 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -28.445
Base-Backbone interact. energy: 0.536
local terms energy: -67.843198
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: 0.328
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: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -96.382880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.382880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.382880 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -25.082
Base-Backbone interact. energy: -0.342
local terms energy: -59.508654
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.853
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: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -348.473187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.473187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.473187 (E_RNA)
where:
Base-Base interactions energy: -237.943
where: short stacking energy: -91.368
Base-Backbone interact. energy: -0.071
local terms energy: -110.459342
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -31.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -365.656964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.656964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.656964 (E_RNA)
where:
Base-Base interactions energy: -248.384
where: short stacking energy: -100.713
Base-Backbone interact. energy: 0.996
local terms energy: -118.269449
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -33.178
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: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -349.126719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.126719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.126719 (E_RNA)
where:
Base-Base interactions energy: -236.399
where: short stacking energy: -97.416
Base-Backbone interact. energy: -0.182
local terms energy: -112.545328
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -32.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -339.643096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.643096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.643096 (E_RNA)
where:
Base-Base interactions energy: -232.964
where: short stacking energy: -96.952
Base-Backbone interact. energy: -0.097
local terms energy: -106.582203
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -30.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -338.453557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.453557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.453557 (E_RNA)
where:
Base-Base interactions energy: -228.498
where: short stacking energy: -92.634
Base-Backbone interact. energy: -0.017
local terms energy: -109.937986
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -30.144
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: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -323.823002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.823002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.823002 (E_RNA)
where:
Base-Base interactions energy: -215.185
where: short stacking energy: -86.080
Base-Backbone interact. energy: -0.016
local terms energy: -108.621666
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -31.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -289.736360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.736360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.736360 (E_RNA)
where:
Base-Base interactions energy: -194.965
where: short stacking energy: -85.863
Base-Backbone interact. energy: -0.009
local terms energy: -94.762941
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -24.475
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: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -297.453754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.453754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.453754 (E_RNA)
where:
Base-Base interactions energy: -193.858
where: short stacking energy: -76.862
Base-Backbone interact. energy: -0.331
local terms energy: -103.264967
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -28.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -95.567219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.567219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.567219 (E_RNA)
where:
Base-Base interactions energy: -36.635
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.509
local terms energy: -58.423659
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -90.051659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.051659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.051659 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -20.751
Base-Backbone interact. energy: 2.799
local terms energy: -66.687978
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 2.500
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: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -364.054249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.054249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.054249 (E_RNA)
where:
Base-Base interactions energy: -244.799
where: short stacking energy: -104.170
Base-Backbone interact. energy: -0.008
local terms energy: -119.247329
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -355.086720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.086720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.086720 (E_RNA)
where:
Base-Base interactions energy: -241.366
where: short stacking energy: -102.808
Base-Backbone interact. energy: -0.004
local terms energy: -113.716426
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -35.860
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -345.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.814312 (E_RNA)
where:
Base-Base interactions energy: -235.326
where: short stacking energy: -85.399
Base-Backbone interact. energy: -0.692
local terms energy: -109.796020
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -344.629160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.629160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.629160 (E_RNA)
where:
Base-Base interactions energy: -230.697
where: short stacking energy: -87.226
Base-Backbone interact. energy: -0.005
local terms energy: -113.926449
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -340.445094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.445094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.445094 (E_RNA)
where:
Base-Base interactions energy: -236.908
where: short stacking energy: -92.696
Base-Backbone interact. energy: -0.011
local terms energy: -103.526282
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -31.093
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: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -308.606061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.606061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.606061 (E_RNA)
where:
Base-Base interactions energy: -198.018
where: short stacking energy: -81.840
Base-Backbone interact. energy: -0.815
local terms energy: -109.773239
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -251.326324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.326324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.326324 (E_RNA)
where:
Base-Base interactions energy: -162.293
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.213
local terms energy: -88.820502
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -295.620943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.620943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.620943 (E_RNA)
where:
Base-Base interactions energy: -189.026
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.388
local terms energy: -106.206910
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -21.855
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: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -121.478587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.478587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.478587 (E_RNA)
where:
Base-Base interactions energy: -48.380
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.488
local terms energy: -72.610622
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -2.240
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: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -85.974565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974565 (E_RNA)
where:
Base-Base interactions energy: -20.994
where: short stacking energy: -20.153
Base-Backbone interact. energy: -0.273
local terms energy: -64.707830
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -367.844391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.844391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.844391 (E_RNA)
where:
Base-Base interactions energy: -250.863
where: short stacking energy: -102.517
Base-Backbone interact. energy: -0.003
local terms energy: -116.979205
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -34.151
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: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -353.347559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.347559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.347559 (E_RNA)
where:
Base-Base interactions energy: -238.631
where: short stacking energy: -95.145
Base-Backbone interact. energy: -0.127
local terms energy: -114.588997
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -356.741672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.741672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.741672 (E_RNA)
where:
Base-Base interactions energy: -233.348
where: short stacking energy: -93.985
Base-Backbone interact. energy: -0.089
local terms energy: -123.304863
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -35.403
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: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -345.079955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.079955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.079955 (E_RNA)
where:
Base-Base interactions energy: -231.677
where: short stacking energy: -97.129
Base-Backbone interact. energy: -0.007
local terms energy: -113.395376
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -29.943
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: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -321.399240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.399240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.399240 (E_RNA)
where:
Base-Base interactions energy: -216.380
where: short stacking energy: -90.416
Base-Backbone interact. energy: -0.072
local terms energy: -104.946709
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -339.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.230737 (E_RNA)
where:
Base-Base interactions energy: -236.091
where: short stacking energy: -93.010
Base-Backbone interact. energy: -0.020
local terms energy: -103.118926
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -29.922
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: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -311.622113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.622113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.622113 (E_RNA)
where:
Base-Base interactions energy: -221.659
where: short stacking energy: -85.709
Base-Backbone interact. energy: 3.114
local terms energy: -93.077088
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -28.139
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: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -235.505252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.505252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.505252 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.190
local terms energy: -82.185166
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -107.721884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.721884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.721884 (E_RNA)
where:
Base-Base interactions energy: -42.764
where: short stacking energy: -28.059
Base-Backbone interact. energy: 0.477
local terms energy: -65.435252
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -4.195
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: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -109.812844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.812844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.812844 (E_RNA)
where:
Base-Base interactions energy: -43.608
where: short stacking energy: -32.955
Base-Backbone interact. energy: -0.703
local terms energy: -65.501340
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -361.400312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.400312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.400312 (E_RNA)
where:
Base-Base interactions energy: -245.352
where: short stacking energy: -100.829
Base-Backbone interact. energy: -0.003
local terms energy: -116.044908
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -33.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -360.456342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.456342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.456342 (E_RNA)
where:
Base-Base interactions energy: -243.610
where: short stacking energy: -101.281
Base-Backbone interact. energy: -0.000
local terms energy: -116.846106
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -359.978550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.978550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.978550 (E_RNA)
where:
Base-Base interactions energy: -243.780
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.790
local terms energy: -115.408537
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -35.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -339.161844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.161844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.161844 (E_RNA)
where:
Base-Base interactions energy: -236.053
where: short stacking energy: -92.446
Base-Backbone interact. energy: -0.002
local terms energy: -103.106072
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -32.842
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: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -340.684908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.684908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.684908 (E_RNA)
where:
Base-Base interactions energy: -234.864
where: short stacking energy: -90.872
Base-Backbone interact. energy: -0.678
local terms energy: -105.142999
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -35.197
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: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -320.081985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.081985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.081985 (E_RNA)
where:
Base-Base interactions energy: -214.964
where: short stacking energy: -85.234
Base-Backbone interact. energy: -0.981
local terms energy: -104.136835
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -303.319559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.319559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.319559 (E_RNA)
where:
Base-Base interactions energy: -201.980
where: short stacking energy: -91.074
Base-Backbone interact. energy: -1.099
local terms energy: -100.240700
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -310.812112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.812112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.812112 (E_RNA)
where:
Base-Base interactions energy: -209.131
where: short stacking energy: -79.933
Base-Backbone interact. energy: -0.113
local terms energy: -101.568114
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -26.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -106.839369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.839369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.839369 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -23.187
Base-Backbone interact. energy: -0.728
local terms energy: -70.891516
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -13.608
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: 245
Temperature: 1.350000
Total energy: -107.438782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.438782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.438782 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.389
local terms energy: -66.667208
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -367.886347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.886347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.886347 (E_RNA)
where:
Base-Base interactions energy: -251.858
where: short stacking energy: -102.994
Base-Backbone interact. energy: -0.006
local terms energy: -116.021943
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -33.452
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: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -348.829335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.829335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.829335 (E_RNA)
where:
Base-Base interactions energy: -237.285
where: short stacking energy: -95.119
Base-Backbone interact. energy: -0.088
local terms energy: -111.456007
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -352.770217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.770217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.770217 (E_RNA)
where:
Base-Base interactions energy: -240.862
where: short stacking energy: -97.851
Base-Backbone interact. energy: -0.074
local terms energy: -111.834642
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -34.384
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: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -345.334020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.334020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.334020 (E_RNA)
where:
Base-Base interactions energy: -232.134
where: short stacking energy: -96.676
Base-Backbone interact. energy: -0.704
local terms energy: -112.496250
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -30.532
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -336.147657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.147657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.147657 (E_RNA)
where:
Base-Base interactions energy: -225.616
where: short stacking energy: -86.246
Base-Backbone interact. energy: -0.013
local terms energy: -110.519472
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -30.303
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: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -300.000277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.000277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.000277 (E_RNA)
where:
Base-Base interactions energy: -208.596
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.172
local terms energy: -91.231465
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -330.072169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.072169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.072169 (E_RNA)
where:
Base-Base interactions energy: -228.527
where: short stacking energy: -95.507
Base-Backbone interact. energy: -0.001
local terms energy: -101.543444
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -28.780
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: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -298.874182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.874182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.874182 (E_RNA)
where:
Base-Base interactions energy: -205.517
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.035
local terms energy: -93.322063
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -23.106
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: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -98.760662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.760662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.760662 (E_RNA)
where:
Base-Base interactions energy: -30.153
where: short stacking energy: -19.516
Base-Backbone interact. energy: 0.505
local terms energy: -69.112174
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -16.527
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: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -104.174349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.174349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.174349 (E_RNA)
where:
Base-Base interactions energy: -40.879
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.350
local terms energy: -62.945251
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -365.491221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.491221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.491221 (E_RNA)
where:
Base-Base interactions energy: -242.868
where: short stacking energy: -97.654
Base-Backbone interact. energy: -0.000
local terms energy: -122.622814
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -33.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -348.506298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.506298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.506298 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -92.343
Base-Backbone interact. energy: 0.379
local terms energy: -115.920100
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -32.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -351.512037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.512037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.512037 (E_RNA)
where:
Base-Base interactions energy: -238.152
where: short stacking energy: -99.595
Base-Backbone interact. energy: -0.049
local terms energy: -113.310946
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -33.512
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: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -345.218224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.218224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.218224 (E_RNA)
where:
Base-Base interactions energy: -234.970
where: short stacking energy: -93.087
Base-Backbone interact. energy: -0.007
local terms energy: -110.241320
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -335.236202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.236202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.236202 (E_RNA)
where:
Base-Base interactions energy: -222.006
where: short stacking energy: -90.814
Base-Backbone interact. energy: -0.004
local terms energy: -113.226117
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -32.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -317.869090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.869090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.869090 (E_RNA)
where:
Base-Base interactions energy: -210.080
where: short stacking energy: -91.210
Base-Backbone interact. energy: -0.004
local terms energy: -107.784765
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -317.430404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.430404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.430404 (E_RNA)
where:
Base-Base interactions energy: -210.699
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.015
local terms energy: -106.715994
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -290.296458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.296458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.296458 (E_RNA)
where:
Base-Base interactions energy: -195.818
where: short stacking energy: -76.462
Base-Backbone interact. energy: 2.200
local terms energy: -96.677725
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -103.420735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.420735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.420735 (E_RNA)
where:
Base-Base interactions energy: -28.972
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.147
local terms energy: -74.302121
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -100.534327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.534327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.534327 (E_RNA)
where:
Base-Base interactions energy: -46.535
where: short stacking energy: -25.553
Base-Backbone interact. energy: -0.425
local terms energy: -53.574056
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -365.528354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.528354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.528354 (E_RNA)
where:
Base-Base interactions energy: -252.279
where: short stacking energy: -102.171
Base-Backbone interact. energy: 1.760
local terms energy: -115.009196
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -32.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -358.836315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.836315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.836315 (E_RNA)
where:
Base-Base interactions energy: -254.272
where: short stacking energy: -98.432
Base-Backbone interact. energy: 0.364
local terms energy: -104.929028
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -358.902100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.902100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.902100 (E_RNA)
where:
Base-Base interactions energy: -246.287
where: short stacking energy: -103.267
Base-Backbone interact. energy: -0.004
local terms energy: -112.611125
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -344.585326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.585326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.585326 (E_RNA)
where:
Base-Base interactions energy: -238.832
where: short stacking energy: -100.896
Base-Backbone interact. energy: -0.208
local terms energy: -105.545309
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -31.320
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -323.754882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.754882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.754882 (E_RNA)
where:
Base-Base interactions energy: -227.690
where: short stacking energy: -91.895
Base-Backbone interact. energy: -0.029
local terms energy: -96.035838
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -28.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -320.599765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.599765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.599765 (E_RNA)
where:
Base-Base interactions energy: -220.533
where: short stacking energy: -84.342
Base-Backbone interact. energy: -0.041
local terms energy: -100.025419
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -270.627490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.627490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.627490 (E_RNA)
where:
Base-Base interactions energy: -175.930
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.058
local terms energy: -94.639929
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -304.444272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.444272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.444272 (E_RNA)
where:
Base-Base interactions energy: -210.009
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.109
local terms energy: -94.326171
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -99.473763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.473763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.473763 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -16.815
Base-Backbone interact. energy: 0.954
local terms energy: -52.177632
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: 5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -111.512787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.512787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.512787 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -39.123
Base-Backbone interact. energy: 0.917
local terms energy: -68.967922
where:
bonds (distance) C4'-P energy: -23.885
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.521
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -371.156298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.156298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.156298 (E_RNA)
where:
Base-Base interactions energy: -250.301
where: short stacking energy: -97.593
Base-Backbone interact. energy: -0.009
local terms energy: -120.846303
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -33.843
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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -364.325483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.325483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.325483 (E_RNA)
where:
Base-Base interactions energy: -249.333
where: short stacking energy: -105.925
Base-Backbone interact. energy: -0.002
local terms energy: -114.989887
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -38.169
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: 249
Temperature: 1.000000
Total energy: -345.131894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.131894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.131894 (E_RNA)
where:
Base-Base interactions energy: -225.415
where: short stacking energy: -87.996
Base-Backbone interact. energy: -0.013
local terms energy: -119.703900
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -341.987127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.987127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.987127 (E_RNA)
where:
Base-Base interactions energy: -234.941
where: short stacking energy: -93.193
Base-Backbone interact. energy: 0.370
local terms energy: -107.416149
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -29.876
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: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -341.242949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.242949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.242949 (E_RNA)
where:
Base-Base interactions energy: -237.538
where: short stacking energy: -91.162
Base-Backbone interact. energy: -0.011
local terms energy: -103.693863
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -30.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -289.536924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.536924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.536924 (E_RNA)
where:
Base-Base interactions energy: -197.160
where: short stacking energy: -79.981
Base-Backbone interact. energy: -0.287
local terms energy: -92.089941
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -301.436912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.436912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.436912 (E_RNA)
where:
Base-Base interactions energy: -206.763
where: short stacking energy: -80.231
Base-Backbone interact. energy: -0.062
local terms energy: -94.612139
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -310.619702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.619702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.619702 (E_RNA)
where:
Base-Base interactions energy: -206.166
where: short stacking energy: -87.774
Base-Backbone interact. energy: -0.134
local terms energy: -104.320177
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -30.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -108.809032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.809032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.809032 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -33.131
Base-Backbone interact. energy: -0.827
local terms energy: -72.566292
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.461841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461841 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -14.086
Base-Backbone interact. energy: 0.427
local terms energy: -52.228661
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -358.636748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.636748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.636748 (E_RNA)
where:
Base-Base interactions energy: -243.371
where: short stacking energy: -97.420
Base-Backbone interact. energy: 0.945
local terms energy: -116.210794
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -35.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -354.797316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.797316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.797316 (E_RNA)
where:
Base-Base interactions energy: -242.010
where: short stacking energy: -98.380
Base-Backbone interact. energy: -0.896
local terms energy: -111.890780
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -33.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -353.256623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.256623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.256623 (E_RNA)
where:
Base-Base interactions energy: -238.427
where: short stacking energy: -91.002
Base-Backbone interact. energy: -0.008
local terms energy: -114.821527
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -32.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -339.384066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.384066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.384066 (E_RNA)
where:
Base-Base interactions energy: -234.850
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.085
local terms energy: -104.449235
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -343.166414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.166414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.166414 (E_RNA)
where:
Base-Base interactions energy: -229.106
where: short stacking energy: -91.364
Base-Backbone interact. energy: 0.040
local terms energy: -114.099539
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -294.602891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.602891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.602891 (E_RNA)
where:
Base-Base interactions energy: -203.857
where: short stacking energy: -79.435
Base-Backbone interact. energy: -0.127
local terms energy: -90.618806
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -318.775490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.775490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.775490 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.024
local terms energy: -105.467609
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -301.655734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.655734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.655734 (E_RNA)
where:
Base-Base interactions energy: -204.689
where: short stacking energy: -79.533
Base-Backbone interact. energy: -0.026
local terms energy: -96.940876
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -24.814
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: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -105.765816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.765816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.765816 (E_RNA)
where:
Base-Base interactions energy: -51.380
where: short stacking energy: -19.282
Base-Backbone interact. energy: -0.768
local terms energy: -53.618199
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -7.842
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: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -101.505948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505948 (E_RNA)
where:
Base-Base interactions energy: -47.460
where: short stacking energy: -19.950
Base-Backbone interact. energy: 4.514
local terms energy: -58.560875
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 5.951
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: 251
Temperature: 0.900000
Total energy: -365.196736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.196736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.196736 (E_RNA)
where:
Base-Base interactions energy: -253.943
where: short stacking energy: -110.267
Base-Backbone interact. energy: -0.000
local terms energy: -111.253450
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -362.895636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.895636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.895636 (E_RNA)
where:
Base-Base interactions energy: -253.873
where: short stacking energy: -101.624
Base-Backbone interact. energy: -0.699
local terms energy: -108.324048
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -343.756860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.756860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.756860 (E_RNA)
where:
Base-Base interactions energy: -234.558
where: short stacking energy: -90.444
Base-Backbone interact. energy: -0.686
local terms energy: -108.513420
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -30.977
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: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -342.408894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.408894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.408894 (E_RNA)
where:
Base-Base interactions energy: -229.375
where: short stacking energy: -98.300
Base-Backbone interact. energy: -0.792
local terms energy: -112.241183
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -31.835
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: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -338.600295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.600295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.600295 (E_RNA)
where:
Base-Base interactions energy: -235.233
where: short stacking energy: -93.697
Base-Backbone interact. energy: -0.031
local terms energy: -103.335867
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -34.610
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -335.145374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.145374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.145374 (E_RNA)
where:
Base-Base interactions energy: -230.062
where: short stacking energy: -89.783
Base-Backbone interact. energy: 1.073
local terms energy: -106.156474
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -29.137
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: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -300.508216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.508216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.508216 (E_RNA)
where:
Base-Base interactions energy: -200.425
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.054
local terms energy: -100.029346
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -288.774950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.774950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.774950 (E_RNA)
where:
Base-Base interactions energy: -192.366
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.234
local terms energy: -96.174729
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -20.126
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: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -123.542458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.542458 (E_RNA)
where:
Base-Base interactions energy: -52.115
where: short stacking energy: -29.315
Base-Backbone interact. energy: 0.253
local terms energy: -71.681099
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -11.673
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: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -114.974700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.974700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.974700 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -33.623
Base-Backbone interact. energy: -0.758
local terms energy: -68.770531
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -371.000392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.000392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.000392 (E_RNA)
where:
Base-Base interactions energy: -248.923
where: short stacking energy: -102.532
Base-Backbone interact. energy: -0.002
local terms energy: -122.075811
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -353.205290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.205290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.205290 (E_RNA)
where:
Base-Base interactions energy: -236.908
where: short stacking energy: -96.512
Base-Backbone interact. energy: -0.009
local terms energy: -116.288637
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -34.016
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: 252
Temperature: 1.000000
Total energy: -351.125978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.125978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.125978 (E_RNA)
where:
Base-Base interactions energy: -250.394
where: short stacking energy: -98.207
Base-Backbone interact. energy: 0.359
local terms energy: -101.091532
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -34.065
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: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -343.456405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.456405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.456405 (E_RNA)
where:
Base-Base interactions energy: -227.726
where: short stacking energy: -91.874
Base-Backbone interact. energy: -0.021
local terms energy: -115.710181
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -340.200130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.200130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.200130 (E_RNA)
where:
Base-Base interactions energy: -232.970
where: short stacking energy: -98.191
Base-Backbone interact. energy: -0.001
local terms energy: -107.228985
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -32.595
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: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -332.519298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.519298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.519298 (E_RNA)
where:
Base-Base interactions energy: -240.587
where: short stacking energy: -90.018
Base-Backbone interact. energy: -0.070
local terms energy: -91.862755
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -314.323504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.323504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.323504 (E_RNA)
where:
Base-Base interactions energy: -214.829
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.159
local terms energy: -99.335400
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -295.035666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.035666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.035666 (E_RNA)
where:
Base-Base interactions energy: -206.653
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.068
local terms energy: -88.314845
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -26.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -102.007001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.007001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.007001 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -22.935
Base-Backbone interact. energy: 3.320
local terms energy: -72.813161
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: 2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -95.196472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.196472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.196472 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -23.682
Base-Backbone interact. energy: -0.551
local terms energy: -66.672483
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: 4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -362.327400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.327400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.327400 (E_RNA)
where:
Base-Base interactions energy: -244.367
where: short stacking energy: -104.710
Base-Backbone interact. energy: -0.003
local terms energy: -117.957653
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -34.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -358.413942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.413942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.413942 (E_RNA)
where:
Base-Base interactions energy: -245.793
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.097
local terms energy: -112.524001
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -359.585734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.585734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.585734 (E_RNA)
where:
Base-Base interactions energy: -250.670
where: short stacking energy: -108.462
Base-Backbone interact. energy: -0.001
local terms energy: -108.915003
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -36.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -321.997898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.997898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.997898 (E_RNA)
where:
Base-Base interactions energy: -217.118
where: short stacking energy: -80.741
Base-Backbone interact. energy: -2.318
local terms energy: -102.561530
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -28.563
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -340.470713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.470713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.470713 (E_RNA)
where:
Base-Base interactions energy: -225.580
where: short stacking energy: -93.727
Base-Backbone interact. energy: -0.068
local terms energy: -114.822472
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -338.138968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.138968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.138968 (E_RNA)
where:
Base-Base interactions energy: -226.596
where: short stacking energy: -95.453
Base-Backbone interact. energy: -0.007
local terms energy: -111.535588
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -35.361
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: 253
Temperature: 1.200000
Total energy: -316.997360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.997360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.997360 (E_RNA)
where:
Base-Base interactions energy: -218.230
where: short stacking energy: -84.655
Base-Backbone interact. energy: -0.052
local terms energy: -98.714806
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -29.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -302.254643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.254643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.254643 (E_RNA)
where:
Base-Base interactions energy: -204.589
where: short stacking energy: -86.039
Base-Backbone interact. energy: -0.367
local terms energy: -97.297999
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -30.122
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: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -104.017674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.017674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.017674 (E_RNA)
where:
Base-Base interactions energy: -48.731
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.171
local terms energy: -55.115581
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -103.165825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.165825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.165825 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.669
local terms energy: -60.489600
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: 5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -363.502225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.502225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.502225 (E_RNA)
where:
Base-Base interactions energy: -242.977
where: short stacking energy: -88.556
Base-Backbone interact. energy: -0.006
local terms energy: -120.519352
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -25.361
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -29.873
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: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -359.534445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.534445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.534445 (E_RNA)
where:
Base-Base interactions energy: -239.285
where: short stacking energy: -102.023
Base-Backbone interact. energy: -1.068
local terms energy: -119.181675
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -34.334
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: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -346.157792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.157792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.157792 (E_RNA)
where:
Base-Base interactions energy: -242.089
where: short stacking energy: -93.924
Base-Backbone interact. energy: -0.016
local terms energy: -104.053336
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -352.406395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.406395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.406395 (E_RNA)
where:
Base-Base interactions energy: -243.976
where: short stacking energy: -102.902
Base-Backbone interact. energy: -0.001
local terms energy: -108.429507
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -33.000
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: 254
Temperature: 1.100000
Total energy: -343.272031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.272031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.272031 (E_RNA)
where:
Base-Base interactions energy: -235.234
where: short stacking energy: -97.530
Base-Backbone interact. energy: -0.081
local terms energy: -107.956805
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -30.112
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -320.794721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.794721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.794721 (E_RNA)
where:
Base-Base interactions energy: -225.749
where: short stacking energy: -93.001
Base-Backbone interact. energy: 2.215
local terms energy: -97.261152
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -30.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -324.871130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.871130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.871130 (E_RNA)
where:
Base-Base interactions energy: -221.185
where: short stacking energy: -80.306
Base-Backbone interact. energy: -0.134
local terms energy: -103.552292
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -30.743
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: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -268.309868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.309868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.309868 (E_RNA)
where:
Base-Base interactions energy: -173.079
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.059
local terms energy: -95.171872
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -103.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.719433 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -21.534
Base-Backbone interact. energy: 2.677
local terms energy: -70.503497
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -92.205705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205705 (E_RNA)
where:
Base-Base interactions energy: -26.002
where: short stacking energy: -26.002
Base-Backbone interact. energy: -0.100
local terms energy: -66.103638
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -363.543175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.543175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.543175 (E_RNA)
where:
Base-Base interactions energy: -243.800
where: short stacking energy: -102.861
Base-Backbone interact. energy: -0.006
local terms energy: -119.736467
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -33.952
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: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -365.941730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.941730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.941730 (E_RNA)
where:
Base-Base interactions energy: -246.855
where: short stacking energy: -102.056
Base-Backbone interact. energy: -0.007
local terms energy: -119.079759
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -34.199
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -355.059216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.059216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.059216 (E_RNA)
where:
Base-Base interactions energy: -241.007
where: short stacking energy: -93.244
Base-Backbone interact. energy: -0.006
local terms energy: -114.046402
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -339.732283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.732283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.732283 (E_RNA)
where:
Base-Base interactions energy: -230.052
where: short stacking energy: -95.741
Base-Backbone interact. energy: -0.029
local terms energy: -109.652090
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -341.711042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.711042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.711042 (E_RNA)
where:
Base-Base interactions energy: -223.994
where: short stacking energy: -88.021
Base-Backbone interact. energy: -1.610
local terms energy: -116.107149
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -30.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -324.074356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.074356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.074356 (E_RNA)
where:
Base-Base interactions energy: -222.224
where: short stacking energy: -86.694
Base-Backbone interact. energy: 1.393
local terms energy: -103.243241
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -27.951
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: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -334.032416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.032416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.032416 (E_RNA)
where:
Base-Base interactions energy: -228.276
where: short stacking energy: -90.902
Base-Backbone interact. energy: -0.241
local terms energy: -105.515507
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -32.591
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: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -299.032565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.032565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.032565 (E_RNA)
where:
Base-Base interactions energy: -198.732
where: short stacking energy: -78.899
Base-Backbone interact. energy: -0.184
local terms energy: -100.116962
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -29.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -103.415783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.415783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.415783 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -24.455
Base-Backbone interact. energy: -0.567
local terms energy: -63.864236
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -10.733
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: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -112.835961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.835961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.835961 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -26.796
Base-Backbone interact. energy: 2.768
local terms energy: -77.716010
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -361.333663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.333663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.333663 (E_RNA)
where:
Base-Base interactions energy: -252.404
where: short stacking energy: -103.853
Base-Backbone interact. energy: -0.005
local terms energy: -108.924393
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -34.203
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: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -355.839637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.839637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.839637 (E_RNA)
where:
Base-Base interactions energy: -244.113
where: short stacking energy: -99.280
Base-Backbone interact. energy: -0.065
local terms energy: -111.662243
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -347.937769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.937769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.937769 (E_RNA)
where:
Base-Base interactions energy: -231.599
where: short stacking energy: -88.286
Base-Backbone interact. energy: -0.003
local terms energy: -116.335987
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -32.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -340.617999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.617999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.617999 (E_RNA)
where:
Base-Base interactions energy: -242.623
where: short stacking energy: -93.497
Base-Backbone interact. energy: 1.528
local terms energy: -99.523219
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -30.071
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -344.485671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.485671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.485671 (E_RNA)
where:
Base-Base interactions energy: -231.284
where: short stacking energy: -96.589
Base-Backbone interact. energy: -0.409
local terms energy: -112.791816
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -325.057506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.057506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.057506 (E_RNA)
where:
Base-Base interactions energy: -217.018
where: short stacking energy: -84.791
Base-Backbone interact. energy: -0.254
local terms energy: -107.784909
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -29.560
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: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -306.110125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.110125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.110125 (E_RNA)
where:
Base-Base interactions energy: -212.593
where: short stacking energy: -80.498
Base-Backbone interact. energy: -0.971
local terms energy: -92.545921
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -29.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -309.319449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.319449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.319449 (E_RNA)
where:
Base-Base interactions energy: -217.674
where: short stacking energy: -84.862
Base-Backbone interact. energy: 1.786
local terms energy: -93.430919
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -25.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -98.871550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871550 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.571
local terms energy: -60.963487
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -121.976700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.976700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.976700 (E_RNA)
where:
Base-Base interactions energy: -53.168
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.451
local terms energy: -68.357598
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -356.989177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.989177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.989177 (E_RNA)
where:
Base-Base interactions energy: -243.533
where: short stacking energy: -99.651
Base-Backbone interact. energy: -1.370
local terms energy: -112.087061
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -34.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -357.473338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.473338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.473338 (E_RNA)
where:
Base-Base interactions energy: -242.406
where: short stacking energy: -92.977
Base-Backbone interact. energy: -0.007
local terms energy: -115.060407
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -32.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -351.328028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.328028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.328028 (E_RNA)
where:
Base-Base interactions energy: -240.750
where: short stacking energy: -89.342
Base-Backbone interact. energy: -0.063
local terms energy: -110.514756
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -30.226
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -343.534697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.534697 (E_RNA)
where:
Base-Base interactions energy: -233.136
where: short stacking energy: -97.899
Base-Backbone interact. energy: -0.161
local terms energy: -110.237976
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -333.858273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.858273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.858273 (E_RNA)
where:
Base-Base interactions energy: -234.520
where: short stacking energy: -95.413
Base-Backbone interact. energy: -0.304
local terms energy: -99.034153
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -30.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -327.237015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.237015 (E_RNA)
where:
Base-Base interactions energy: -227.616
where: short stacking energy: -79.870
Base-Backbone interact. energy: -0.109
local terms energy: -99.512833
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -297.484444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.484444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.484444 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -82.801
Base-Backbone interact. energy: -0.116
local terms energy: -92.616001
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -306.167728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.167728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.167728 (E_RNA)
where:
Base-Base interactions energy: -203.461
where: short stacking energy: -75.125
Base-Backbone interact. energy: -0.153
local terms energy: -102.554031
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -115.818394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.818394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.818394 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.131
local terms energy: -65.921745
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -8.298
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: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -101.262551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.262551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.262551 (E_RNA)
where:
Base-Base interactions energy: -38.014
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.437
local terms energy: -62.811390
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -366.359046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.359046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.359046 (E_RNA)
where:
Base-Base interactions energy: -241.820
where: short stacking energy: -94.919
Base-Backbone interact. energy: -0.763
local terms energy: -123.775606
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -34.093
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: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -355.196662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.196662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.196662 (E_RNA)
where:
Base-Base interactions energy: -245.606
where: short stacking energy: -97.662
Base-Backbone interact. energy: -0.009
local terms energy: -109.580860
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -31.209
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: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -354.147952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.147952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.147952 (E_RNA)
where:
Base-Base interactions energy: -238.837
where: short stacking energy: -100.549
Base-Backbone interact. energy: -0.047
local terms energy: -115.264005
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -33.135
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -349.133264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.133264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.133264 (E_RNA)
where:
Base-Base interactions energy: -236.127
where: short stacking energy: -100.073
Base-Backbone interact. energy: 2.850
local terms energy: -115.856209
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -327.896444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.896444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.896444 (E_RNA)
where:
Base-Base interactions energy: -227.311
where: short stacking energy: -89.685
Base-Backbone interact. energy: -0.003
local terms energy: -100.582189
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -28.570
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: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -332.190054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.190054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.190054 (E_RNA)
where:
Base-Base interactions energy: -225.307
where: short stacking energy: -92.849
Base-Backbone interact. energy: 1.052
local terms energy: -107.935273
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -293.671631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.671631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.671631 (E_RNA)
where:
Base-Base interactions energy: -197.439
where: short stacking energy: -77.873
Base-Backbone interact. energy: -0.322
local terms energy: -95.910382
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -23.919
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: 258
Temperature: 1.250000
Total energy: -309.271476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.271476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.271476 (E_RNA)
where:
Base-Base interactions energy: -213.840
where: short stacking energy: -84.900
Base-Backbone interact. energy: -0.164
local terms energy: -95.268194
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -27.249
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: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -109.508107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.508107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.508107 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.347
local terms energy: -65.858062
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: 1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -110.172350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.172350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.172350 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.261
local terms energy: -70.321741
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -355.446557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.446557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.446557 (E_RNA)
where:
Base-Base interactions energy: -237.258
where: short stacking energy: -100.394
Base-Backbone interact. energy: -0.467
local terms energy: -117.721428
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -357.828129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.828129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.828129 (E_RNA)
where:
Base-Base interactions energy: -236.161
where: short stacking energy: -103.581
Base-Backbone interact. energy: -0.002
local terms energy: -121.664833
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -35.675
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: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -346.420270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.420270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.420270 (E_RNA)
where:
Base-Base interactions energy: -241.194
where: short stacking energy: -99.289
Base-Backbone interact. energy: -0.025
local terms energy: -105.200571
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -32.132
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -331.831565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.831565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.831565 (E_RNA)
where:
Base-Base interactions energy: -225.378
where: short stacking energy: -95.583
Base-Backbone interact. energy: -0.052
local terms energy: -106.401270
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -310.446683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.446683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.446683 (E_RNA)
where:
Base-Base interactions energy: -210.361
where: short stacking energy: -87.978
Base-Backbone interact. energy: 1.545
local terms energy: -101.630891
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -304.151298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.151298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.151298 (E_RNA)
where:
Base-Base interactions energy: -196.191
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.161
local terms energy: -107.799631
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -27.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -345.229334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.229334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.229334 (E_RNA)
where:
Base-Base interactions energy: -238.198
where: short stacking energy: -94.837
Base-Backbone interact. energy: -0.103
local terms energy: -106.928615
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -30.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -305.103532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.103532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.103532 (E_RNA)
where:
Base-Base interactions energy: -208.522
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.079
local terms energy: -96.503489
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -27.104
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: 259
Temperature: 1.300000
Total energy: -114.184903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.184903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.184903 (E_RNA)
where:
Base-Base interactions energy: -61.677
where: short stacking energy: -35.782
Base-Backbone interact. energy: -0.344
local terms energy: -52.164150
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -119.429987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.429987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.429987 (E_RNA)
where:
Base-Base interactions energy: -52.956
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.216
local terms energy: -66.257373
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -7.813
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: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -363.630246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.630246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.630246 (E_RNA)
where:
Base-Base interactions energy: -239.449
where: short stacking energy: -96.700
Base-Backbone interact. energy: 0.082
local terms energy: -124.264112
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -35.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -350.260742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.260742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.260742 (E_RNA)
where:
Base-Base interactions energy: -237.433
where: short stacking energy: -93.059
Base-Backbone interact. energy: -0.203
local terms energy: -112.624519
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -353.658989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.658989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.658989 (E_RNA)
where:
Base-Base interactions energy: -235.949
where: short stacking energy: -94.808
Base-Backbone interact. energy: -0.023
local terms energy: -117.686749
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -31.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -339.005684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.005684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.005684 (E_RNA)
where:
Base-Base interactions energy: -229.891
where: short stacking energy: -84.899
Base-Backbone interact. energy: -0.172
local terms energy: -108.943416
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -30.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -319.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.033590 (E_RNA)
where:
Base-Base interactions energy: -220.759
where: short stacking energy: -85.594
Base-Backbone interact. energy: -0.019
local terms energy: -98.255600
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -320.881243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.881243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.881243 (E_RNA)
where:
Base-Base interactions energy: -215.153
where: short stacking energy: -81.427
Base-Backbone interact. energy: 0.692
local terms energy: -106.420121
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -31.215
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -302.048333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.048333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.048333 (E_RNA)
where:
Base-Base interactions energy: -204.159
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.147
local terms energy: -97.742328
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -25.766
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: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -289.334272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.334272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.334272 (E_RNA)
where:
Base-Base interactions energy: -202.533
where: short stacking energy: -84.202
Base-Backbone interact. energy: -0.823
local terms energy: -85.977715
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -110.666135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.666135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.666135 (E_RNA)
where:
Base-Base interactions energy: -54.346
where: short stacking energy: -29.733
Base-Backbone interact. energy: -0.130
local terms energy: -56.189975
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -128.309670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.309670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.309670 (E_RNA)
where:
Base-Base interactions energy: -53.809
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.120
local terms energy: -74.380664
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -366.143512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.143512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.143512 (E_RNA)
where:
Base-Base interactions energy: -249.908
where: short stacking energy: -101.188
Base-Backbone interact. energy: 0.847
local terms energy: -117.083030
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -31.014
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -336.388947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.388947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.388947 (E_RNA)
where:
Base-Base interactions energy: -222.906
where: short stacking energy: -100.598
Base-Backbone interact. energy: -0.012
local terms energy: -113.471289
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -350.541574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.541574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.541574 (E_RNA)
where:
Base-Base interactions energy: -243.134
where: short stacking energy: -100.622
Base-Backbone interact. energy: -0.010
local terms energy: -107.397739
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -34.288
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: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -356.126605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.126605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.126605 (E_RNA)
where:
Base-Base interactions energy: -237.302
where: short stacking energy: -103.178
Base-Backbone interact. energy: -0.604
local terms energy: -118.220621
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -316.954499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.954499 (E_RNA)
where:
Base-Base interactions energy: -225.326
where: short stacking energy: -88.223
Base-Backbone interact. energy: -0.076
local terms energy: -91.552738
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -28.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -329.125007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.125007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.125007 (E_RNA)
where:
Base-Base interactions energy: -225.366
where: short stacking energy: -93.096
Base-Backbone interact. energy: -0.032
local terms energy: -103.726695
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -306.583011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.583011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.583011 (E_RNA)
where:
Base-Base interactions energy: -199.886
where: short stacking energy: -73.624
Base-Backbone interact. energy: -0.028
local terms energy: -106.668390
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -23.770
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: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -289.577131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.577131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.577131 (E_RNA)
where:
Base-Base interactions energy: -200.367
where: short stacking energy: -66.610
Base-Backbone interact. energy: -0.149
local terms energy: -89.061261
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -23.776
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: 261
Temperature: 1.300000
Total energy: -100.512680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.512680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.512680 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -31.021
Base-Backbone interact. energy: 0.908
local terms energy: -63.400968
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -7.750
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: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -107.447069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.447069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.447069 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -18.174
Base-Backbone interact. energy: 0.438
local terms energy: -60.890300
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -364.948686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.948686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.948686 (E_RNA)
where:
Base-Base interactions energy: -249.544
where: short stacking energy: -103.884
Base-Backbone interact. energy: -0.003
local terms energy: -115.402147
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -35.015
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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -367.213306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.213306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.213306 (E_RNA)
where:
Base-Base interactions energy: -245.431
where: short stacking energy: -98.495
Base-Backbone interact. energy: -0.003
local terms energy: -121.779218
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -33.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -342.501533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.501533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.501533 (E_RNA)
where:
Base-Base interactions energy: -230.717
where: short stacking energy: -82.783
Base-Backbone interact. energy: -0.082
local terms energy: -111.702528
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -344.759242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.759242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.759242 (E_RNA)
where:
Base-Base interactions energy: -236.661
where: short stacking energy: -97.360
Base-Backbone interact. energy: -0.014
local terms energy: -108.084871
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -34.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -321.538852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.538852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.538852 (E_RNA)
where:
Base-Base interactions energy: -223.281
where: short stacking energy: -83.114
Base-Backbone interact. energy: -0.124
local terms energy: -98.134479
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -26.281
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: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -308.248318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.248318 (E_RNA)
where:
Base-Base interactions energy: -201.893
where: short stacking energy: -76.846
Base-Backbone interact. energy: -0.192
local terms energy: -106.162656
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -299.087125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.087125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.087125 (E_RNA)
where:
Base-Base interactions energy: -200.556
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.023
local terms energy: -98.508210
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -234.808354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.808354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.808354 (E_RNA)
where:
Base-Base interactions energy: -151.300
where: short stacking energy: -55.711
Base-Backbone interact. energy: -0.353
local terms energy: -83.155015
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -107.616302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.616302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.616302 (E_RNA)
where:
Base-Base interactions energy: -42.462
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.396
local terms energy: -64.758693
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.746
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: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -90.412898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.412898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.412898 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -15.522
Base-Backbone interact. energy: -0.224
local terms energy: -63.266488
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -362.376025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.376025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.376025 (E_RNA)
where:
Base-Base interactions energy: -241.522
where: short stacking energy: -97.451
Base-Backbone interact. energy: -0.036
local terms energy: -120.817345
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -26.435
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -33.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -357.632450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.632450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.632450 (E_RNA)
where:
Base-Base interactions energy: -240.585
where: short stacking energy: -99.512
Base-Backbone interact. energy: -0.042
local terms energy: -117.005055
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -34.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -334.364122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.364122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.364122 (E_RNA)
where:
Base-Base interactions energy: -226.073
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.003
local terms energy: -108.287989
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -28.253
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: 263
Temperature: 1.050000
Total energy: -352.538055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.538055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.538055 (E_RNA)
where:
Base-Base interactions energy: -232.508
where: short stacking energy: -95.978
Base-Backbone interact. energy: 2.120
local terms energy: -122.150092
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -32.743
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -316.076054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.076054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.076054 (E_RNA)
where:
Base-Base interactions energy: -217.378
where: short stacking energy: -88.394
Base-Backbone interact. energy: -0.247
local terms energy: -98.450717
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -299.076569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.076569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.076569 (E_RNA)
where:
Base-Base interactions energy: -204.763
where: short stacking energy: -80.818
Base-Backbone interact. energy: -0.086
local terms energy: -94.227288
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -324.230507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.230507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.230507 (E_RNA)
where:
Base-Base interactions energy: -224.463
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.213
local terms energy: -99.555303
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -217.046034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.046034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.046034 (E_RNA)
where:
Base-Base interactions energy: -138.772
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.613
local terms energy: -77.661741
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -13.278
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: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -104.962113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.962113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.962113 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -41.059
Base-Backbone interact. energy: -0.153
local terms energy: -62.078661
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -106.958164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.958164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.958164 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.077
local terms energy: -67.526280
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -362.519143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.519143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.519143 (E_RNA)
where:
Base-Base interactions energy: -257.393
where: short stacking energy: -107.586
Base-Backbone interact. energy: -0.332
local terms energy: -104.794812
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -31.332
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -363.138420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.138420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.138420 (E_RNA)
where:
Base-Base interactions energy: -245.790
where: short stacking energy: -102.893
Base-Backbone interact. energy: -0.001
local terms energy: -117.346872
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -34.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -347.890244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.890244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.890244 (E_RNA)
where:
Base-Base interactions energy: -235.379
where: short stacking energy: -101.753
Base-Backbone interact. energy: -0.057
local terms energy: -112.453597
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -348.590738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.590738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.590738 (E_RNA)
where:
Base-Base interactions energy: -240.181
where: short stacking energy: -97.859
Base-Backbone interact. energy: -0.174
local terms energy: -108.235179
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -34.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -330.475567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.475567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.475567 (E_RNA)
where:
Base-Base interactions energy: -222.423
where: short stacking energy: -94.287
Base-Backbone interact. energy: -0.102
local terms energy: -107.950465
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -330.216333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.216333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.216333 (E_RNA)
where:
Base-Base interactions energy: -226.528
where: short stacking energy: -81.774
Base-Backbone interact. energy: -1.136
local terms energy: -102.553213
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -31.642
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: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -323.817158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.817158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.817158 (E_RNA)
where:
Base-Base interactions energy: -220.388
where: short stacking energy: -88.421
Base-Backbone interact. energy: -0.032
local terms energy: -103.397418
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -189.484700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484700 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.338
local terms energy: -55.073308
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -95.380612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.380612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.380612 (E_RNA)
where:
Base-Base interactions energy: -29.504
where: short stacking energy: -25.492
Base-Backbone interact. energy: -1.123
local terms energy: -64.753339
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -12.925
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: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -92.804482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804482 (E_RNA)
where:
Base-Base interactions energy: -28.369
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.630
local terms energy: -63.804935
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -357.989356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.989356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.989356 (E_RNA)
where:
Base-Base interactions energy: -247.557
where: short stacking energy: -94.643
Base-Backbone interact. energy: 1.522
local terms energy: -111.954333
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -24.864
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -32.165
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -357.635417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.635417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.635417 (E_RNA)
where:
Base-Base interactions energy: -250.077
where: short stacking energy: -101.857
Base-Backbone interact. energy: 0.009
local terms energy: -107.566746
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -31.745
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: 265
Temperature: 1.000000
Total energy: -345.671255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.671255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.671255 (E_RNA)
where:
Base-Base interactions energy: -240.067
where: short stacking energy: -100.383
Base-Backbone interact. energy: 0.372
local terms energy: -105.975604
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -36.902
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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -349.020552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.020552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.020552 (E_RNA)
where:
Base-Base interactions energy: -242.600
where: short stacking energy: -102.608
Base-Backbone interact. energy: -0.556
local terms energy: -105.864660
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -36.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -339.464991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.464991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.464991 (E_RNA)
where:
Base-Base interactions energy: -230.561
where: short stacking energy: -91.111
Base-Backbone interact. energy: 0.221
local terms energy: -109.125014
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -30.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -321.468054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.468054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.468054 (E_RNA)
where:
Base-Base interactions energy: -214.627
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.169
local terms energy: -106.672381
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -25.761
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -327.773177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.773177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.773177 (E_RNA)
where:
Base-Base interactions energy: -225.791
where: short stacking energy: -94.269
Base-Backbone interact. energy: -0.085
local terms energy: -101.896920
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -30.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -198.387958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.387958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.387958 (E_RNA)
where:
Base-Base interactions energy: -119.068
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.211
local terms energy: -79.109175
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -15.138
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: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -104.001195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.001195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.001195 (E_RNA)
where:
Base-Base interactions energy: -48.341
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.202
local terms energy: -55.458557
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -96.881944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.881944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.881944 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -30.942
Base-Backbone interact. energy: -1.469
local terms energy: -58.820773
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -369.195011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.195011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.195011 (E_RNA)
where:
Base-Base interactions energy: -250.098
where: short stacking energy: -107.081
Base-Backbone interact. energy: -0.004
local terms energy: -119.092911
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -34.974
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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -352.016800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.016800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.016800 (E_RNA)
where:
Base-Base interactions energy: -245.676
where: short stacking energy: -95.494
Base-Backbone interact. energy: -0.005
local terms energy: -106.336059
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -30.739
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: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -345.949597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.949597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.949597 (E_RNA)
where:
Base-Base interactions energy: -229.295
where: short stacking energy: -92.111
Base-Backbone interact. energy: -0.443
local terms energy: -116.211417
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -30.437
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: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -342.427218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.427218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.427218 (E_RNA)
where:
Base-Base interactions energy: -236.547
where: short stacking energy: -98.181
Base-Backbone interact. energy: -0.207
local terms energy: -105.672982
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -29.816
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: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -343.989323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.989323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.989323 (E_RNA)
where:
Base-Base interactions energy: -228.422
where: short stacking energy: -94.032
Base-Backbone interact. energy: -0.007
local terms energy: -115.560450
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -35.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -315.461612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.461612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.461612 (E_RNA)
where:
Base-Base interactions energy: -209.224
where: short stacking energy: -85.772
Base-Backbone interact. energy: -0.120
local terms energy: -106.117984
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -28.517
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: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -303.839499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.839499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.839499 (E_RNA)
where:
Base-Base interactions energy: -205.931
where: short stacking energy: -73.449
Base-Backbone interact. energy: 0.440
local terms energy: -98.348499
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -27.915
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: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -178.871353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.871353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.871353 (E_RNA)
where:
Base-Base interactions energy: -106.215
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.354
local terms energy: -72.302055
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -3.637
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: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -93.951266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.951266 (E_RNA)
where:
Base-Base interactions energy: -25.849
where: short stacking energy: -19.188
Base-Backbone interact. energy: -1.146
local terms energy: -66.955716
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -96.453746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.453746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.453746 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -21.580
Base-Backbone interact. energy: -0.504
local terms energy: -70.411956
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -368.418666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.418666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.418666 (E_RNA)
where:
Base-Base interactions energy: -253.404
where: short stacking energy: -94.174
Base-Backbone interact. energy: -0.140
local terms energy: -114.874627
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -356.884966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.884966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.884966 (E_RNA)
where:
Base-Base interactions energy: -239.769
where: short stacking energy: -99.436
Base-Backbone interact. energy: -0.005
local terms energy: -117.110718
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -32.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -352.835257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.835257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.835257 (E_RNA)
where:
Base-Base interactions energy: -238.753
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.092
local terms energy: -113.990562
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -348.298218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.298218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.298218 (E_RNA)
where:
Base-Base interactions energy: -229.938
where: short stacking energy: -97.006
Base-Backbone interact. energy: 0.177
local terms energy: -118.537019
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -35.006
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -348.453541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.453541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.453541 (E_RNA)
where:
Base-Base interactions energy: -233.384
where: short stacking energy: -90.742
Base-Backbone interact. energy: -0.003
local terms energy: -115.066721
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -32.224
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: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -329.799039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.799039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.799039 (E_RNA)
where:
Base-Base interactions energy: -228.642
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.012
local terms energy: -101.144974
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -32.621
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -314.442933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.442933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.442933 (E_RNA)
where:
Base-Base interactions energy: -223.743
where: short stacking energy: -84.986
Base-Backbone interact. energy: -0.069
local terms energy: -90.630368
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -118.823790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.823790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.823790 (E_RNA)
where:
Base-Base interactions energy: -67.022
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.130
local terms energy: -51.672400
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -11.975
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: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -177.377866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377866 (E_RNA)
where:
Base-Base interactions energy: -102.312
where: short stacking energy: -33.928
Base-Backbone interact. energy: 1.092
local terms energy: -76.158198
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -95.593443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.593443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.593443 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.614
local terms energy: -57.425634
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: 4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -367.200489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.200489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.200489 (E_RNA)
where:
Base-Base interactions energy: -251.498
where: short stacking energy: -103.708
Base-Backbone interact. energy: 0.374
local terms energy: -116.075780
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -25.483
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -31.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -366.237102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.237102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.237102 (E_RNA)
where:
Base-Base interactions energy: -245.742
where: short stacking energy: -96.659
Base-Backbone interact. energy: -0.017
local terms energy: -120.477577
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -351.725343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.725343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.725343 (E_RNA)
where:
Base-Base interactions energy: -236.055
where: short stacking energy: -94.142
Base-Backbone interact. energy: -0.276
local terms energy: -115.394665
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -32.250
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: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -345.436515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.436515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.436515 (E_RNA)
where:
Base-Base interactions energy: -231.900
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.797
local terms energy: -112.740355
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -28.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -328.514758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.514758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.514758 (E_RNA)
where:
Base-Base interactions energy: -219.197
where: short stacking energy: -89.374
Base-Backbone interact. energy: -0.039
local terms energy: -109.279120
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -30.970
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: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -332.257245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.257245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.257245 (E_RNA)
where:
Base-Base interactions energy: -229.197
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.374
local terms energy: -102.685801
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -315.021239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.021239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.021239 (E_RNA)
where:
Base-Base interactions energy: -207.769
where: short stacking energy: -84.070
Base-Backbone interact. energy: -0.369
local terms energy: -106.883440
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -32.188
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -109.428539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428539 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -20.160
Base-Backbone interact. energy: 0.229
local terms energy: -77.150102
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -206.711521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.711521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.711521 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -48.175
Base-Backbone interact. energy: -0.315
local terms energy: -74.844054
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -102.630013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.630013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.630013 (E_RNA)
where:
Base-Base interactions energy: -41.421
where: short stacking energy: -26.116
Base-Backbone interact. energy: -0.909
local terms energy: -60.299634
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -363.257562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.257562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.257562 (E_RNA)
where:
Base-Base interactions energy: -240.268
where: short stacking energy: -92.825
Base-Backbone interact. energy: -1.875
local terms energy: -121.114437
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -34.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -353.680440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.680440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.680440 (E_RNA)
where:
Base-Base interactions energy: -243.158
where: short stacking energy: -96.612
Base-Backbone interact. energy: -0.162
local terms energy: -110.359953
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -31.018
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: 269
Temperature: 1.000000
Total energy: -353.343583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.343583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.343583 (E_RNA)
where:
Base-Base interactions energy: -235.116
where: short stacking energy: -93.125
Base-Backbone interact. energy: -0.734
local terms energy: -117.493626
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -34.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -351.478562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.478562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.478562 (E_RNA)
where:
Base-Base interactions energy: -232.003
where: short stacking energy: -98.395
Base-Backbone interact. energy: -0.000
local terms energy: -119.474990
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -32.256
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: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -331.647377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.647377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.647377 (E_RNA)
where:
Base-Base interactions energy: -216.868
where: short stacking energy: -86.166
Base-Backbone interact. energy: -1.285
local terms energy: -113.494475
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -32.572
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -298.250962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.250962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.250962 (E_RNA)
where:
Base-Base interactions energy: -190.820
where: short stacking energy: -79.201
Base-Backbone interact. energy: -0.014
local terms energy: -107.417672
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -29.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -299.244184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.244184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.244184 (E_RNA)
where:
Base-Base interactions energy: -194.464
where: short stacking energy: -75.184
Base-Backbone interact. energy: -0.103
local terms energy: -104.677304
where:
bonds (distance) C4'-P energy: -23.097
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -24.117
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: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -212.232877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.232877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.232877 (E_RNA)
where:
Base-Base interactions energy: -141.188
where: short stacking energy: -51.827
Base-Backbone interact. energy: -1.019
local terms energy: -70.025261
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -97.535680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.535680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.535680 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -23.620
Base-Backbone interact. energy: -0.697
local terms energy: -59.996543
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -13.365
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -96.429848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429848 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -11.797
Base-Backbone interact. energy: -0.270
local terms energy: -60.241230
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -361.495790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.495790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.495790 (E_RNA)
where:
Base-Base interactions energy: -250.428
where: short stacking energy: -104.238
Base-Backbone interact. energy: -0.000
local terms energy: -111.067430
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -35.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -358.178133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.178133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.178133 (E_RNA)
where:
Base-Base interactions energy: -247.695
where: short stacking energy: -102.833
Base-Backbone interact. energy: -0.377
local terms energy: -110.106057
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -32.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -363.682673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.682673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.682673 (E_RNA)
where:
Base-Base interactions energy: -249.364
where: short stacking energy: -103.500
Base-Backbone interact. energy: -0.795
local terms energy: -113.523418
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -34.723
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: 270
Temperature: 1.050000
Total energy: -336.424814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.424814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.424814 (E_RNA)
where:
Base-Base interactions energy: -225.337
where: short stacking energy: -91.806
Base-Backbone interact. energy: -0.097
local terms energy: -110.990234
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -29.772
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -343.451397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.451397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.451397 (E_RNA)
where:
Base-Base interactions energy: -230.646
where: short stacking energy: -87.369
Base-Backbone interact. energy: -0.467
local terms energy: -112.338812
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -308.957832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.957832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.957832 (E_RNA)
where:
Base-Base interactions energy: -210.359
where: short stacking energy: -81.140
Base-Backbone interact. energy: -0.179
local terms energy: -98.419790
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -25.003
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: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -292.207893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.207893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.207893 (E_RNA)
where:
Base-Base interactions energy: -208.380
where: short stacking energy: -87.706
Base-Backbone interact. energy: 4.747
local terms energy: -88.575667
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -227.320106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.320106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.320106 (E_RNA)
where:
Base-Base interactions energy: -153.551
where: short stacking energy: -61.440
Base-Backbone interact. energy: 0.299
local terms energy: -74.068989
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -102.045832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.045832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.045832 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.268
local terms energy: -64.750354
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 0.458
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: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -100.077807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.077807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.077807 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.222
local terms energy: -60.476814
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: 3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -363.371382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.371382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.371382 (E_RNA)
where:
Base-Base interactions energy: -247.141
where: short stacking energy: -99.582
Base-Backbone interact. energy: -0.186
local terms energy: -116.044439
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -35.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -354.408256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.408256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.408256 (E_RNA)
where:
Base-Base interactions energy: -236.873
where: short stacking energy: -104.451
Base-Backbone interact. energy: -0.075
local terms energy: -117.460608
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -351.644015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.644015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.644015 (E_RNA)
where:
Base-Base interactions energy: -243.347
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.466
local terms energy: -107.831096
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -31.831
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: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -345.277955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.277955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.277955 (E_RNA)
where:
Base-Base interactions energy: -239.689
where: short stacking energy: -101.603
Base-Backbone interact. energy: -0.158
local terms energy: -105.430313
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -34.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -327.545346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.545346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.545346 (E_RNA)
where:
Base-Base interactions energy: -214.762
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.030
local terms energy: -112.753124
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -324.035997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.035997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.035997 (E_RNA)
where:
Base-Base interactions energy: -221.563
where: short stacking energy: -92.012
Base-Backbone interact. energy: -0.931
local terms energy: -101.541948
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -29.526
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: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -304.287510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.287510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.287510 (E_RNA)
where:
Base-Base interactions energy: -206.604
where: short stacking energy: -77.736
Base-Backbone interact. energy: -0.193
local terms energy: -97.490495
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -228.419880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.419880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.419880 (E_RNA)
where:
Base-Base interactions energy: -159.956
where: short stacking energy: -62.282
Base-Backbone interact. energy: 0.311
local terms energy: -68.775290
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -106.629877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.629877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.629877 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -33.320
Base-Backbone interact. energy: 1.642
local terms energy: -71.148830
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -94.306937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306937 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -22.458
Base-Backbone interact. energy: -1.727
local terms energy: -66.573439
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -354.347649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.347649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.347649 (E_RNA)
where:
Base-Base interactions energy: -240.553
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.051
local terms energy: -113.743357
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -32.778
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: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -353.331835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.331835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.331835 (E_RNA)
where:
Base-Base interactions energy: -248.586
where: short stacking energy: -99.827
Base-Backbone interact. energy: -0.010
local terms energy: -104.735896
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -32.971
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: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -360.114268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.114268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.114268 (E_RNA)
where:
Base-Base interactions energy: -244.347
where: short stacking energy: -103.744
Base-Backbone interact. energy: -0.000
local terms energy: -115.766896
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -33.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -346.392142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.392142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.392142 (E_RNA)
where:
Base-Base interactions energy: -233.945
where: short stacking energy: -86.532
Base-Backbone interact. energy: -0.052
local terms energy: -112.394483
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -34.230
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: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -346.596580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.596580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.596580 (E_RNA)
where:
Base-Base interactions energy: -234.922
where: short stacking energy: -95.904
Base-Backbone interact. energy: 1.045
local terms energy: -112.719579
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -32.347
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -321.482582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.482582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.482582 (E_RNA)
where:
Base-Base interactions energy: -224.928
where: short stacking energy: -84.678
Base-Backbone interact. energy: -0.278
local terms energy: -96.276264
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -28.559
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: 272
Temperature: 1.200000
Total energy: -295.533862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.533862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.533862 (E_RNA)
where:
Base-Base interactions energy: -197.329
where: short stacking energy: -79.344
Base-Backbone interact. energy: -0.035
local terms energy: -98.170367
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -253.966492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.966492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.966492 (E_RNA)
where:
Base-Base interactions energy: -165.830
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.457
local terms energy: -87.679886
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -106.716125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.716125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.716125 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -23.615
Base-Backbone interact. energy: -0.367
local terms energy: -73.388300
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -102.870643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.870643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.870643 (E_RNA)
where:
Base-Base interactions energy: -28.367
where: short stacking energy: -23.934
Base-Backbone interact. energy: -0.070
local terms energy: -74.433986
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -358.927837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.927837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.927837 (E_RNA)
where:
Base-Base interactions energy: -249.230
where: short stacking energy: -99.431
Base-Backbone interact. energy: -0.004
local terms energy: -109.693847
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -30.993
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: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -352.459101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.459101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.459101 (E_RNA)
where:
Base-Base interactions energy: -238.899
where: short stacking energy: -100.536
Base-Backbone interact. energy: -0.092
local terms energy: -113.468121
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -34.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -351.558602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.558602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.558602 (E_RNA)
where:
Base-Base interactions energy: -231.182
where: short stacking energy: -97.054
Base-Backbone interact. energy: -0.001
local terms energy: -120.375262
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -36.863
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -343.259799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.259799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.259799 (E_RNA)
where:
Base-Base interactions energy: -232.312
where: short stacking energy: -96.605
Base-Backbone interact. energy: -0.663
local terms energy: -110.284328
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -33.291
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: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -334.262727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.262727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.262727 (E_RNA)
where:
Base-Base interactions energy: -222.664
where: short stacking energy: -89.844
Base-Backbone interact. energy: -0.978
local terms energy: -110.621442
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -29.920
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: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -333.535910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.535910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.535910 (E_RNA)
where:
Base-Base interactions energy: -229.313
where: short stacking energy: -90.945
Base-Backbone interact. energy: -0.000
local terms energy: -104.222726
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -31.879
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -306.643844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.643844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.643844 (E_RNA)
where:
Base-Base interactions energy: -202.228
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.182
local terms energy: -104.234242
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -245.010637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.010637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.010637 (E_RNA)
where:
Base-Base interactions energy: -160.114
where: short stacking energy: -60.024
Base-Backbone interact. energy: -1.449
local terms energy: -83.447853
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -109.884196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.884196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.884196 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -18.564
Base-Backbone interact. energy: -0.495
local terms energy: -72.005083
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -12.528
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: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -99.085903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.085903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.085903 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.066
local terms energy: -72.174744
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -361.886413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.886413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.886413 (E_RNA)
where:
Base-Base interactions energy: -245.773
where: short stacking energy: -101.905
Base-Backbone interact. energy: -0.002
local terms energy: -116.111505
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -33.508
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: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -349.642942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.642942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.642942 (E_RNA)
where:
Base-Base interactions energy: -243.485
where: short stacking energy: -100.294
Base-Backbone interact. energy: -0.002
local terms energy: -106.156402
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -32.392
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: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -344.496015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.496015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.496015 (E_RNA)
where:
Base-Base interactions energy: -240.016
where: short stacking energy: -90.372
Base-Backbone interact. energy: -0.027
local terms energy: -104.452490
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -28.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -343.201726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.201726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.201726 (E_RNA)
where:
Base-Base interactions energy: -227.575
where: short stacking energy: -88.981
Base-Backbone interact. energy: 0.500
local terms energy: -116.126814
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -330.493208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.493208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.493208 (E_RNA)
where:
Base-Base interactions energy: -227.492
where: short stacking energy: -86.078
Base-Backbone interact. energy: -0.048
local terms energy: -102.952641
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -311.222724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.222724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.222724 (E_RNA)
where:
Base-Base interactions energy: -219.464
where: short stacking energy: -84.364
Base-Backbone interact. energy: 0.233
local terms energy: -91.991539
where:
bonds (distance) C4'-P energy: -23.270
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -27.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -317.826044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.826044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.826044 (E_RNA)
where:
Base-Base interactions energy: -214.763
where: short stacking energy: -86.063
Base-Backbone interact. energy: -0.754
local terms energy: -102.308860
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -277.596304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.596304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.596304 (E_RNA)
where:
Base-Base interactions energy: -171.737
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.311
local terms energy: -105.548303
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -103.131746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.131746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.131746 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -17.503
Base-Backbone interact. energy: -0.217
local terms energy: -55.409648
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.934
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: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -90.612329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.612329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.612329 (E_RNA)
where:
Base-Base interactions energy: -28.041
where: short stacking energy: -17.573
Base-Backbone interact. energy: -1.167
local terms energy: -61.404764
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: 4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -363.817190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.817190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.817190 (E_RNA)
where:
Base-Base interactions energy: -241.962
where: short stacking energy: -91.946
Base-Backbone interact. energy: -0.773
local terms energy: -121.082385
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -356.123955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.123955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.123955 (E_RNA)
where:
Base-Base interactions energy: -239.847
where: short stacking energy: -95.366
Base-Backbone interact. energy: -0.004
local terms energy: -116.272314
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -33.798
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: 275
Temperature: 1.000000
Total energy: -348.622958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.622958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.622958 (E_RNA)
where:
Base-Base interactions energy: -240.770
where: short stacking energy: -98.504
Base-Backbone interact. energy: -0.042
local terms energy: -107.810589
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -31.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -346.292362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.292362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.292362 (E_RNA)
where:
Base-Base interactions energy: -236.012
where: short stacking energy: -97.201
Base-Backbone interact. energy: -0.003
local terms energy: -110.276678
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -33.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -336.154231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.154231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.154231 (E_RNA)
where:
Base-Base interactions energy: -234.466
where: short stacking energy: -93.660
Base-Backbone interact. energy: -0.099
local terms energy: -101.589175
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -34.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -333.782439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.782439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.782439 (E_RNA)
where:
Base-Base interactions energy: -230.730
where: short stacking energy: -88.804
Base-Backbone interact. energy: -0.082
local terms energy: -102.970749
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -30.543
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -316.766379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.766379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.766379 (E_RNA)
where:
Base-Base interactions energy: -212.570
where: short stacking energy: -78.389
Base-Backbone interact. energy: -0.160
local terms energy: -104.035756
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -29.334
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: 275
Temperature: 1.250000
Total energy: -256.842594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.842594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.842594 (E_RNA)
where:
Base-Base interactions energy: -161.338
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.398
local terms energy: -95.106218
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -151.204972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.204972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.204972 (E_RNA)
where:
Base-Base interactions energy: -101.270
where: short stacking energy: -30.986
Base-Backbone interact. energy: -0.475
local terms energy: -49.460278
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -107.801964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.801964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.801964 (E_RNA)
where:
Base-Base interactions energy: -37.370
where: short stacking energy: -24.586
Base-Backbone interact. energy: -0.876
local terms energy: -69.556721
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: 4.235
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: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -368.406926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.406926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.406926 (E_RNA)
where:
Base-Base interactions energy: -252.411
where: short stacking energy: -107.180
Base-Backbone interact. energy: -0.003
local terms energy: -115.993260
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -351.866840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.866840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.866840 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -93.919
Base-Backbone interact. energy: -0.004
local terms energy: -115.461113
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -33.313
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: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -348.008088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.008088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.008088 (E_RNA)
where:
Base-Base interactions energy: -233.901
where: short stacking energy: -95.300
Base-Backbone interact. energy: -0.004
local terms energy: -114.102285
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -31.361
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: 276
Temperature: 1.050000
Total energy: -330.379194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.379194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.379194 (E_RNA)
where:
Base-Base interactions energy: -224.871
where: short stacking energy: -94.611
Base-Backbone interact. energy: -0.002
local terms energy: -105.506052
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -28.541
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -332.616822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.616822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.616822 (E_RNA)
where:
Base-Base interactions energy: -215.786
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.464
local terms energy: -116.367316
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -30.107
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -325.822920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.822920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.822920 (E_RNA)
where:
Base-Base interactions energy: -221.359
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.080
local terms energy: -104.384186
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -30.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -317.309237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.309237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.309237 (E_RNA)
where:
Base-Base interactions energy: -205.112
where: short stacking energy: -81.908
Base-Backbone interact. energy: -0.537
local terms energy: -111.660991
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -244.723744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.723744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.723744 (E_RNA)
where:
Base-Base interactions energy: -156.512
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.175
local terms energy: -88.036978
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -113.273828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.273828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.273828 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -19.186
Base-Backbone interact. energy: -0.424
local terms energy: -72.170581
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -14.909
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: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -105.109563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.109563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.109563 (E_RNA)
where:
Base-Base interactions energy: -46.237
where: short stacking energy: -22.557
Base-Backbone interact. energy: 0.851
local terms energy: -59.723557
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: 5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -370.893294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.893294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.893294 (E_RNA)
where:
Base-Base interactions energy: -250.782
where: short stacking energy: -103.739
Base-Backbone interact. energy: -0.182
local terms energy: -119.929810
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -366.757692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.757692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.757692 (E_RNA)
where:
Base-Base interactions energy: -255.718
where: short stacking energy: -104.843
Base-Backbone interact. energy: -0.002
local terms energy: -111.038262
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -33.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -352.530106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.530106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.530106 (E_RNA)
where:
Base-Base interactions energy: -240.637
where: short stacking energy: -98.312
Base-Backbone interact. energy: -0.010
local terms energy: -111.883654
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -29.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -337.627879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.627879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.627879 (E_RNA)
where:
Base-Base interactions energy: -229.541
where: short stacking energy: -84.426
Base-Backbone interact. energy: -0.188
local terms energy: -107.899170
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -342.926535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.926535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.926535 (E_RNA)
where:
Base-Base interactions energy: -233.856
where: short stacking energy: -93.506
Base-Backbone interact. energy: -0.032
local terms energy: -109.038176
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -35.203
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: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -321.422589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.422589 (E_RNA)
where:
Base-Base interactions energy: -223.616
where: short stacking energy: -89.619
Base-Backbone interact. energy: -0.589
local terms energy: -97.217780
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -29.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -312.458665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.458665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.458665 (E_RNA)
where:
Base-Base interactions energy: -214.516
where: short stacking energy: -84.985
Base-Backbone interact. energy: -0.035
local terms energy: -97.907479
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -243.240546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.240546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.240546 (E_RNA)
where:
Base-Base interactions energy: -169.540
where: short stacking energy: -71.508
Base-Backbone interact. energy: 1.425
local terms energy: -75.124741
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -106.662786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.662786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.662786 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -26.545
Base-Backbone interact. energy: -0.911
local terms energy: -73.607417
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -123.424110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.424110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.424110 (E_RNA)
where:
Base-Base interactions energy: -64.384
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.170
local terms energy: -58.869980
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: 4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -352.706248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.706248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.706248 (E_RNA)
where:
Base-Base interactions energy: -233.448
where: short stacking energy: -101.559
Base-Backbone interact. energy: -0.219
local terms energy: -119.039497
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -26.506
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -32.410
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: 278
Temperature: 0.950000
Total energy: -347.881194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.881194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.881194 (E_RNA)
where:
Base-Base interactions energy: -231.589
where: short stacking energy: -91.089
Base-Backbone interact. energy: -0.011
local terms energy: -116.281515
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -32.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -358.566225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.566225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.566225 (E_RNA)
where:
Base-Base interactions energy: -239.675
where: short stacking energy: -100.339
Base-Backbone interact. energy: 0.243
local terms energy: -119.133897
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -335.370811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.370811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.370811 (E_RNA)
where:
Base-Base interactions energy: -222.433
where: short stacking energy: -88.945
Base-Backbone interact. energy: -0.105
local terms energy: -112.833326
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -323.564164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.564164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.564164 (E_RNA)
where:
Base-Base interactions energy: -229.289
where: short stacking energy: -98.721
Base-Backbone interact. energy: -0.012
local terms energy: -94.262931
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -31.170
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -323.023762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.023762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.023762 (E_RNA)
where:
Base-Base interactions energy: -220.341
where: short stacking energy: -90.701
Base-Backbone interact. energy: -0.002
local terms energy: -102.680397
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -33.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -327.299299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.299299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.299299 (E_RNA)
where:
Base-Base interactions energy: -214.824
where: short stacking energy: -89.812
Base-Backbone interact. energy: -0.002
local terms energy: -112.473627
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -34.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -220.891692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891692 (E_RNA)
where:
Base-Base interactions energy: -146.087
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.221
local terms energy: -74.584004
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -107.176857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.176857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.176857 (E_RNA)
where:
Base-Base interactions energy: -50.002
where: short stacking energy: -28.743
Base-Backbone interact. energy: 1.291
local terms energy: -58.465156
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -100.793881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.793881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.793881 (E_RNA)
where:
Base-Base interactions energy: -47.262
where: short stacking energy: -23.525
Base-Backbone interact. energy: -1.609
local terms energy: -51.923043
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.896
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: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -362.185438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.185438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.185438 (E_RNA)
where:
Base-Base interactions energy: -242.332
where: short stacking energy: -92.878
Base-Backbone interact. energy: -0.331
local terms energy: -119.522760
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -347.668456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.668456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.668456 (E_RNA)
where:
Base-Base interactions energy: -235.640
where: short stacking energy: -94.028
Base-Backbone interact. energy: -0.095
local terms energy: -111.933780
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -30.956
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: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -359.664140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.664140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.664140 (E_RNA)
where:
Base-Base interactions energy: -243.649
where: short stacking energy: -99.721
Base-Backbone interact. energy: -0.001
local terms energy: -116.014077
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -33.500
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -347.104935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.104935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.104935 (E_RNA)
where:
Base-Base interactions energy: -233.432
where: short stacking energy: -91.561
Base-Backbone interact. energy: 1.229
local terms energy: -114.901580
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -34.274
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: 279
Temperature: 1.100000
Total energy: -337.787334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.787334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.787334 (E_RNA)
where:
Base-Base interactions energy: -225.374
where: short stacking energy: -88.832
Base-Backbone interact. energy: -0.015
local terms energy: -112.397996
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -31.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -334.295523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.295523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.295523 (E_RNA)
where:
Base-Base interactions energy: -228.653
where: short stacking energy: -96.466
Base-Backbone interact. energy: -1.209
local terms energy: -104.433849
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -30.605
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -321.818365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.818365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.818365 (E_RNA)
where:
Base-Base interactions energy: -222.858
where: short stacking energy: -88.707
Base-Backbone interact. energy: -0.024
local terms energy: -98.936872
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -32.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -228.535294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535294 (E_RNA)
where:
Base-Base interactions energy: -143.383
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.174
local terms energy: -84.977838
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -12.821
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: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -105.613178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.613178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.613178 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -17.964
Base-Backbone interact. energy: -0.466
local terms energy: -67.424637
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -10.435
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: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.581666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.581666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.581666 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -29.246
Base-Backbone interact. energy: -0.342
local terms energy: -59.647965
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: 0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -361.515691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.515691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.515691 (E_RNA)
where:
Base-Base interactions energy: -242.284
where: short stacking energy: -100.060
Base-Backbone interact. energy: 0.803
local terms energy: -120.034536
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -34.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -358.505211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.505211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.505211 (E_RNA)
where:
Base-Base interactions energy: -246.976
where: short stacking energy: -99.264
Base-Backbone interact. energy: -0.341
local terms energy: -111.188241
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -33.676
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: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -355.337437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.337437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.337437 (E_RNA)
where:
Base-Base interactions energy: -235.218
where: short stacking energy: -102.722
Base-Backbone interact. energy: 0.097
local terms energy: -120.216947
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -346.470275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.470275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.470275 (E_RNA)
where:
Base-Base interactions energy: -233.426
where: short stacking energy: -84.548
Base-Backbone interact. energy: -0.090
local terms energy: -112.955213
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -28.655
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: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -332.439335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.439335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.439335 (E_RNA)
where:
Base-Base interactions energy: -233.792
where: short stacking energy: -95.917
Base-Backbone interact. energy: -0.211
local terms energy: -98.436076
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -31.441
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -332.021312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.021312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.021312 (E_RNA)
where:
Base-Base interactions energy: -226.355
where: short stacking energy: -90.886
Base-Backbone interact. energy: 0.032
local terms energy: -105.698411
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -30.592
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: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -301.924062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.924062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.924062 (E_RNA)
where:
Base-Base interactions energy: -203.966
where: short stacking energy: -80.079
Base-Backbone interact. energy: -0.062
local terms energy: -97.896429
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -196.927596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927596 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -43.909
Base-Backbone interact. energy: 0.026
local terms energy: -62.120700
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -127.550058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.550058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.550058 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -40.997
Base-Backbone interact. energy: -0.347
local terms energy: -83.443664
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -93.183810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183810 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -31.764
Base-Backbone interact. energy: 3.297
local terms energy: -61.363845
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -8.891
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: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -370.026247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.026247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.026247 (E_RNA)
where:
Base-Base interactions energy: -246.154
where: short stacking energy: -101.473
Base-Backbone interact. energy: -0.003
local terms energy: -123.868792
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -36.541
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: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -357.653321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.653321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.653321 (E_RNA)
where:
Base-Base interactions energy: -244.877
where: short stacking energy: -97.180
Base-Backbone interact. energy: -0.636
local terms energy: -112.140525
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -33.041
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: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -353.836111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.836111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.836111 (E_RNA)
where:
Base-Base interactions energy: -238.737
where: short stacking energy: -99.359
Base-Backbone interact. energy: -0.004
local terms energy: -115.095505
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -35.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -342.813713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.813713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.813713 (E_RNA)
where:
Base-Base interactions energy: -237.727
where: short stacking energy: -95.323
Base-Backbone interact. energy: -0.018
local terms energy: -105.068749
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -29.495
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: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -332.563288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.563288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.563288 (E_RNA)
where:
Base-Base interactions energy: -228.206
where: short stacking energy: -94.285
Base-Backbone interact. energy: 0.205
local terms energy: -104.562890
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -29.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -344.082932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.082932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.082932 (E_RNA)
where:
Base-Base interactions energy: -237.262
where: short stacking energy: -96.996
Base-Backbone interact. energy: 1.116
local terms energy: -107.936975
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -30.104
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -304.945053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.945053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.945053 (E_RNA)
where:
Base-Base interactions energy: -203.542
where: short stacking energy: -84.672
Base-Backbone interact. energy: -0.028
local terms energy: -101.375220
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -25.701
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -112.366662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.366662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.366662 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.833
local terms energy: -74.924552
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -94.013086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.013086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.013086 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -16.232
Base-Backbone interact. energy: -0.072
local terms energy: -59.412327
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -8.962
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: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -97.171190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.171190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.171190 (E_RNA)
where:
Base-Base interactions energy: -34.512
where: short stacking energy: -11.200
Base-Backbone interact. energy: -0.075
local terms energy: -62.584116
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -365.058837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.058837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.058837 (E_RNA)
where:
Base-Base interactions energy: -250.391
where: short stacking energy: -101.482
Base-Backbone interact. energy: -0.809
local terms energy: -113.858539
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -34.995
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -353.871198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.871198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.871198 (E_RNA)
where:
Base-Base interactions energy: -237.722
where: short stacking energy: -95.194
Base-Backbone interact. energy: -1.036
local terms energy: -115.112831
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -30.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -349.376963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.376963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.376963 (E_RNA)
where:
Base-Base interactions energy: -235.750
where: short stacking energy: -87.135
Base-Backbone interact. energy: -0.138
local terms energy: -113.488706
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -336.409335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.409335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.409335 (E_RNA)
where:
Base-Base interactions energy: -236.590
where: short stacking energy: -88.703
Base-Backbone interact. energy: 7.383
local terms energy: -107.202279
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -26.172
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: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -337.822382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.822382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.822382 (E_RNA)
where:
Base-Base interactions energy: -233.564
where: short stacking energy: -100.884
Base-Backbone interact. energy: -0.011
local terms energy: -104.247363
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -32.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -322.369721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.369721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.369721 (E_RNA)
where:
Base-Base interactions energy: -220.831
where: short stacking energy: -81.645
Base-Backbone interact. energy: -0.668
local terms energy: -100.870791
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -306.328684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.328684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.328684 (E_RNA)
where:
Base-Base interactions energy: -201.790
where: short stacking energy: -84.686
Base-Backbone interact. energy: -0.135
local terms energy: -104.403244
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -100.410171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.410171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.410171 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -24.941
Base-Backbone interact. energy: 0.277
local terms energy: -71.016970
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -14.164
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: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -111.994373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.994373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.994373 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -25.261
Base-Backbone interact. energy: 1.350
local terms energy: -71.926905
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: 2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -107.795625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.795625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.795625 (E_RNA)
where:
Base-Base interactions energy: -49.228
where: short stacking energy: -19.003
Base-Backbone interact. energy: -2.647
local terms energy: -55.920680
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: 8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -363.166481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.166481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.166481 (E_RNA)
where:
Base-Base interactions energy: -247.618
where: short stacking energy: -103.412
Base-Backbone interact. energy: 0.128
local terms energy: -115.676289
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -31.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -359.325250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.325250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.325250 (E_RNA)
where:
Base-Base interactions energy: -246.103
where: short stacking energy: -101.875
Base-Backbone interact. energy: 1.812
local terms energy: -115.034807
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -357.327979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.327979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.327979 (E_RNA)
where:
Base-Base interactions energy: -235.702
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.012
local terms energy: -121.614374
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -31.774
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -329.880005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.880005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.880005 (E_RNA)
where:
Base-Base interactions energy: -220.013
where: short stacking energy: -87.431
Base-Backbone interact. energy: -0.011
local terms energy: -109.856817
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -32.256
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: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -329.754466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.754466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.754466 (E_RNA)
where:
Base-Base interactions energy: -219.369
where: short stacking energy: -84.526
Base-Backbone interact. energy: -0.010
local terms energy: -110.375500
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -27.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -315.223538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.223538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.223538 (E_RNA)
where:
Base-Base interactions energy: -215.311
where: short stacking energy: -84.232
Base-Backbone interact. energy: -0.010
local terms energy: -99.902597
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -313.054514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.054514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.054514 (E_RNA)
where:
Base-Base interactions energy: -218.910
where: short stacking energy: -85.991
Base-Backbone interact. energy: -0.068
local terms energy: -94.076359
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -28.751
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: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -126.565268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.565268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.565268 (E_RNA)
where:
Base-Base interactions energy: -48.126
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.229
local terms energy: -78.210787
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -6.880
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: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -101.345088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345088 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.199
local terms energy: -64.680045
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: 2.890
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: 283
Temperature: 1.350000
Total energy: -98.087240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.087240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.087240 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.308
local terms energy: -64.942308
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -369.054679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.054679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.054679 (E_RNA)
where:
Base-Base interactions energy: -256.103
where: short stacking energy: -101.470
Base-Backbone interact. energy: -0.039
local terms energy: -112.912557
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -32.337
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: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -354.775449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.775449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.775449 (E_RNA)
where:
Base-Base interactions energy: -244.773
where: short stacking energy: -103.999
Base-Backbone interact. energy: -0.022
local terms energy: -109.979745
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -33.393
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -343.026796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.026796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.026796 (E_RNA)
where:
Base-Base interactions energy: -234.634
where: short stacking energy: -91.111
Base-Backbone interact. energy: 0.676
local terms energy: -109.068827
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -352.659189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.659189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.659189 (E_RNA)
where:
Base-Base interactions energy: -236.081
where: short stacking energy: -97.620
Base-Backbone interact. energy: -0.408
local terms energy: -116.169982
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -32.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -338.967963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.967963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.967963 (E_RNA)
where:
Base-Base interactions energy: -228.170
where: short stacking energy: -88.887
Base-Backbone interact. energy: -0.697
local terms energy: -110.101146
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -33.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -333.371899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.371899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.371899 (E_RNA)
where:
Base-Base interactions energy: -219.377
where: short stacking energy: -83.755
Base-Backbone interact. energy: -0.556
local terms energy: -113.439539
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -32.671
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: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -318.997637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.997637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.997637 (E_RNA)
where:
Base-Base interactions energy: -208.411
where: short stacking energy: -83.976
Base-Backbone interact. energy: -0.111
local terms energy: -110.475624
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -115.024490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.024490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.024490 (E_RNA)
where:
Base-Base interactions energy: -40.917
where: short stacking energy: -23.882
Base-Backbone interact. energy: 0.155
local terms energy: -74.262779
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -108.258255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.258255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.258255 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -29.651
Base-Backbone interact. energy: 1.190
local terms energy: -66.827387
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -106.599927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599927 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -22.917
Base-Backbone interact. energy: -1.034
local terms energy: -71.238578
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -367.668720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.668720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.668720 (E_RNA)
where:
Base-Base interactions energy: -248.173
where: short stacking energy: -103.043
Base-Backbone interact. energy: -0.022
local terms energy: -119.473544
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -31.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -349.636130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.636130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.636130 (E_RNA)
where:
Base-Base interactions energy: -235.347
where: short stacking energy: -93.910
Base-Backbone interact. energy: -0.070
local terms energy: -114.219443
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -31.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -358.947568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.947568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.947568 (E_RNA)
where:
Base-Base interactions energy: -240.888
where: short stacking energy: -96.469
Base-Backbone interact. energy: -0.002
local terms energy: -118.057438
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -35.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -344.647986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.647986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.647986 (E_RNA)
where:
Base-Base interactions energy: -233.516
where: short stacking energy: -91.628
Base-Backbone interact. energy: -0.131
local terms energy: -111.001147
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -30.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -313.840818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.840818 (E_RNA)
where:
Base-Base interactions energy: -206.840
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.003
local terms energy: -106.997907
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -301.915528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.915528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.915528 (E_RNA)
where:
Base-Base interactions energy: -201.039
where: short stacking energy: -77.899
Base-Backbone interact. energy: 0.061
local terms energy: -100.937678
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -311.002514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.002514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.002514 (E_RNA)
where:
Base-Base interactions energy: -217.735
where: short stacking energy: -92.042
Base-Backbone interact. energy: -0.008
local terms energy: -93.259372
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -175.994217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.994217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.994217 (E_RNA)
where:
Base-Base interactions energy: -103.053
where: short stacking energy: -42.241
Base-Backbone interact. energy: 1.465
local terms energy: -74.405945
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -24.518
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -94.714414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714414 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.354
local terms energy: -67.429915
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: 2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -111.556320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.556320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.556320 (E_RNA)
where:
Base-Base interactions energy: -42.775
where: short stacking energy: -29.752
Base-Backbone interact. energy: 0.024
local terms energy: -68.805441
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: 2.139
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: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -363.268262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.268262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.268262 (E_RNA)
where:
Base-Base interactions energy: -245.951
where: short stacking energy: -96.930
Base-Backbone interact. energy: 0.588
local terms energy: -117.905241
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -30.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -351.064755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.064755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.064755 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -101.586
Base-Backbone interact. energy: -0.158
local terms energy: -114.951045
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -33.337
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: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -353.647464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.647464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.647464 (E_RNA)
where:
Base-Base interactions energy: -240.982
where: short stacking energy: -100.495
Base-Backbone interact. energy: -0.010
local terms energy: -112.655510
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -31.075
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: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -338.319002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.319002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.319002 (E_RNA)
where:
Base-Base interactions energy: -229.564
where: short stacking energy: -87.724
Base-Backbone interact. energy: -0.210
local terms energy: -108.545343
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -31.933
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -310.291432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.291432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.291432 (E_RNA)
where:
Base-Base interactions energy: -219.064
where: short stacking energy: -84.591
Base-Backbone interact. energy: 0.164
local terms energy: -91.391545
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -317.200270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.200270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.200270 (E_RNA)
where:
Base-Base interactions energy: -222.077
where: short stacking energy: -82.427
Base-Backbone interact. energy: 0.847
local terms energy: -95.970362
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -25.309
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -321.659583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.659583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.659583 (E_RNA)
where:
Base-Base interactions energy: -219.528
where: short stacking energy: -81.698
Base-Backbone interact. energy: -0.128
local terms energy: -102.004238
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -26.922
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: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -200.084450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.084450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.084450 (E_RNA)
where:
Base-Base interactions energy: -111.092
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.850
local terms energy: -88.142583
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -10.998
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: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -117.347347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.347347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.347347 (E_RNA)
where:
Base-Base interactions energy: -61.354
where: short stacking energy: -31.540
Base-Backbone interact. energy: 0.241
local terms energy: -56.234638
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: 0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -107.626519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.626519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.626519 (E_RNA)
where:
Base-Base interactions energy: -35.225
where: short stacking energy: -22.946
Base-Backbone interact. energy: -0.145
local terms energy: -72.256363
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -363.615551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.615551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.615551 (E_RNA)
where:
Base-Base interactions energy: -249.468
where: short stacking energy: -102.985
Base-Backbone interact. energy: -0.567
local terms energy: -113.581273
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -33.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -349.570986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.570986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.570986 (E_RNA)
where:
Base-Base interactions energy: -244.092
where: short stacking energy: -92.284
Base-Backbone interact. energy: -0.055
local terms energy: -105.424216
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -30.221
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: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -342.549493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.549493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.549493 (E_RNA)
where:
Base-Base interactions energy: -226.998
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.030
local terms energy: -115.521471
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -32.004
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: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -341.360299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.360299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.360299 (E_RNA)
where:
Base-Base interactions energy: -233.555
where: short stacking energy: -94.433
Base-Backbone interact. energy: -0.281
local terms energy: -107.523528
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -33.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -328.307619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.307619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.307619 (E_RNA)
where:
Base-Base interactions energy: -222.955
where: short stacking energy: -92.838
Base-Backbone interact. energy: -0.012
local terms energy: -105.341185
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -324.425239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.425239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.425239 (E_RNA)
where:
Base-Base interactions energy: -217.613
where: short stacking energy: -82.654
Base-Backbone interact. energy: -1.025
local terms energy: -105.787550
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -23.306
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -324.988736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.988736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.988736 (E_RNA)
where:
Base-Base interactions energy: -211.533
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.123
local terms energy: -113.332161
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -31.426
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: 287
Temperature: 1.250000
Total energy: -221.166272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.166272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.166272 (E_RNA)
where:
Base-Base interactions energy: -134.875
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.317
local terms energy: -85.974043
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -109.936327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.936327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.936327 (E_RNA)
where:
Base-Base interactions energy: -36.550
where: short stacking energy: -32.558
Base-Backbone interact. energy: 0.413
local terms energy: -73.799513
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -9.699
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: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -104.652480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.652480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.652480 (E_RNA)
where:
Base-Base interactions energy: -41.626
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.169
local terms energy: -62.857390
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -1.427
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -364.484385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.484385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.484385 (E_RNA)
where:
Base-Base interactions energy: -244.069
where: short stacking energy: -103.765
Base-Backbone interact. energy: -0.002
local terms energy: -120.413829
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -351.588749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.588749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.588749 (E_RNA)
where:
Base-Base interactions energy: -247.662
where: short stacking energy: -97.595
Base-Backbone interact. energy: 0.007
local terms energy: -103.933463
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -346.899949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.899949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.899949 (E_RNA)
where:
Base-Base interactions energy: -234.335
where: short stacking energy: -92.530
Base-Backbone interact. energy: -0.002
local terms energy: -112.563609
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -348.144645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.144645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.144645 (E_RNA)
where:
Base-Base interactions energy: -231.682
where: short stacking energy: -99.095
Base-Backbone interact. energy: -0.095
local terms energy: -116.367844
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -28.621
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: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -335.427075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.427075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.427075 (E_RNA)
where:
Base-Base interactions energy: -228.952
where: short stacking energy: -94.194
Base-Backbone interact. energy: -0.309
local terms energy: -106.165694
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -34.230
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: 288
Temperature: 1.150000
Total energy: -328.637474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.637474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.637474 (E_RNA)
where:
Base-Base interactions energy: -229.062
where: short stacking energy: -94.513
Base-Backbone interact. energy: -0.063
local terms energy: -99.512162
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -318.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.480860 (E_RNA)
where:
Base-Base interactions energy: -220.020
where: short stacking energy: -87.100
Base-Backbone interact. energy: 2.066
local terms energy: -100.526373
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -29.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -224.052375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052375 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -58.792
Base-Backbone interact. energy: 3.195
local terms energy: -74.929349
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -10.177
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -101.521288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521288 (E_RNA)
where:
Base-Base interactions energy: -39.023
where: short stacking energy: -18.558
Base-Backbone interact. energy: 1.512
local terms energy: -64.010289
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -101.118834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.118834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.118834 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -24.172
Base-Backbone interact. energy: -0.401
local terms energy: -60.416389
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -14.452
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: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -368.693406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.693406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.693406 (E_RNA)
where:
Base-Base interactions energy: -247.933
where: short stacking energy: -100.700
Base-Backbone interact. energy: -0.019
local terms energy: -120.741268
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -34.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -361.199031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.199031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.199031 (E_RNA)
where:
Base-Base interactions energy: -247.866
where: short stacking energy: -98.972
Base-Backbone interact. energy: -0.002
local terms energy: -113.331036
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -22.760
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -358.678510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.678510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.678510 (E_RNA)
where:
Base-Base interactions energy: -252.551
where: short stacking energy: -108.973
Base-Backbone interact. energy: -0.086
local terms energy: -106.041711
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -356.207828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.207828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.207828 (E_RNA)
where:
Base-Base interactions energy: -235.220
where: short stacking energy: -100.654
Base-Backbone interact. energy: -0.025
local terms energy: -120.962027
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -34.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -327.630762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.630762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.630762 (E_RNA)
where:
Base-Base interactions energy: -228.059
where: short stacking energy: -86.801
Base-Backbone interact. energy: 0.263
local terms energy: -99.833975
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -31.324
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -295.428643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.428643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.428643 (E_RNA)
where:
Base-Base interactions energy: -194.194
where: short stacking energy: -80.990
Base-Backbone interact. energy: 1.898
local terms energy: -103.133211
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -24.986
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: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -322.265530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.265530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.265530 (E_RNA)
where:
Base-Base interactions energy: -226.075
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.111
local terms energy: -96.079493
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -182.156400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.156400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.156400 (E_RNA)
where:
Base-Base interactions energy: -115.762
where: short stacking energy: -49.245
Base-Backbone interact. energy: -0.286
local terms energy: -66.107472
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -97.967609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.967609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.967609 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -25.559
Base-Backbone interact. energy: -0.366
local terms energy: -71.753476
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -100.893796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.893796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.893796 (E_RNA)
where:
Base-Base interactions energy: -43.270
where: short stacking energy: -28.744
Base-Backbone interact. energy: -2.275
local terms energy: -55.348742
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -357.012994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.012994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.012994 (E_RNA)
where:
Base-Base interactions energy: -246.281
where: short stacking energy: -97.722
Base-Backbone interact. energy: -0.023
local terms energy: -110.708397
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -31.971
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: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -356.461906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.461906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.461906 (E_RNA)
where:
Base-Base interactions energy: -237.030
where: short stacking energy: -93.686
Base-Backbone interact. energy: -0.710
local terms energy: -118.721673
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -33.668
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: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -352.096188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.096188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.096188 (E_RNA)
where:
Base-Base interactions energy: -239.433
where: short stacking energy: -92.734
Base-Backbone interact. energy: -0.011
local terms energy: -112.651912
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -33.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -345.313390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.313390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.313390 (E_RNA)
where:
Base-Base interactions energy: -235.880
where: short stacking energy: -108.015
Base-Backbone interact. energy: -0.153
local terms energy: -109.280740
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -33.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -319.103155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.103155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.103155 (E_RNA)
where:
Base-Base interactions energy: -209.191
where: short stacking energy: -80.588
Base-Backbone interact. energy: -0.091
local terms energy: -109.821110
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -28.197
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: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -317.852308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.852308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.852308 (E_RNA)
where:
Base-Base interactions energy: -209.961
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.221
local terms energy: -107.669948
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -34.519
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -308.500597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.500597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.500597 (E_RNA)
where:
Base-Base interactions energy: -211.023
where: short stacking energy: -85.775
Base-Backbone interact. energy: -0.395
local terms energy: -97.082816
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -171.393488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.393488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.393488 (E_RNA)
where:
Base-Base interactions energy: -105.539
where: short stacking energy: -38.045
Base-Backbone interact. energy: -0.204
local terms energy: -65.650968
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -101.710115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.710115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.710115 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.285
local terms energy: -64.477094
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.565
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: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -95.312960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312960 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -17.459
Base-Backbone interact. energy: -1.047
local terms energy: -55.997029
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -7.514
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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -354.009117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.009117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.009117 (E_RNA)
where:
Base-Base interactions energy: -237.000
where: short stacking energy: -94.078
Base-Backbone interact. energy: -0.083
local terms energy: -116.925550
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -359.162222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.162222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.162222 (E_RNA)
where:
Base-Base interactions energy: -242.283
where: short stacking energy: -95.593
Base-Backbone interact. energy: -0.143
local terms energy: -116.736399
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -34.102
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: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -343.709285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.709285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.709285 (E_RNA)
where:
Base-Base interactions energy: -237.042
where: short stacking energy: -96.333
Base-Backbone interact. energy: -0.011
local terms energy: -106.656036
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -30.723
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: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -340.959819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.959819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.959819 (E_RNA)
where:
Base-Base interactions energy: -239.169
where: short stacking energy: -93.527
Base-Backbone interact. energy: 1.524
local terms energy: -103.314796
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -28.009
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: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -316.635131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.635131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.635131 (E_RNA)
where:
Base-Base interactions energy: -219.962
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.248
local terms energy: -96.425652
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -24.582
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: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -320.086791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.086791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.086791 (E_RNA)
where:
Base-Base interactions energy: -210.308
where: short stacking energy: -84.781
Base-Backbone interact. energy: -0.414
local terms energy: -109.364327
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -28.663
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -311.229249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.229249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.229249 (E_RNA)
where:
Base-Base interactions energy: -205.602
where: short stacking energy: -84.597
Base-Backbone interact. energy: -0.125
local terms energy: -105.502193
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -25.983
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: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -155.389626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.389626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.389626 (E_RNA)
where:
Base-Base interactions energy: -80.579
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.795
local terms energy: -74.015518
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -8.455
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: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -101.429507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.429507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.429507 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -15.315
Base-Backbone interact. energy: 1.029
local terms energy: -68.851943
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -12.894
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: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -107.197963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.197963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.197963 (E_RNA)
where:
Base-Base interactions energy: -48.248
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.435
local terms energy: -58.514894
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -11.300
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -367.522037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.522037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.522037 (E_RNA)
where:
Base-Base interactions energy: -250.720
where: short stacking energy: -103.143
Base-Backbone interact. energy: -0.001
local terms energy: -116.801038
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -33.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -344.642947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.642947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.642947 (E_RNA)
where:
Base-Base interactions energy: -227.628
where: short stacking energy: -82.602
Base-Backbone interact. energy: -0.334
local terms energy: -116.681048
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -353.360376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.360376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.360376 (E_RNA)
where:
Base-Base interactions energy: -249.466
where: short stacking energy: -105.044
Base-Backbone interact. energy: 1.367
local terms energy: -105.261812
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -345.219002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.219002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.219002 (E_RNA)
where:
Base-Base interactions energy: -234.858
where: short stacking energy: -90.206
Base-Backbone interact. energy: -0.099
local terms energy: -110.261965
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -33.531
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: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -327.479388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.479388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.479388 (E_RNA)
where:
Base-Base interactions energy: -218.792
where: short stacking energy: -84.169
Base-Backbone interact. energy: 1.272
local terms energy: -109.959717
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -30.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -322.710883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.710883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.710883 (E_RNA)
where:
Base-Base interactions energy: -220.783
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.071
local terms energy: -101.856884
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -306.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.941192 (E_RNA)
where:
Base-Base interactions energy: -208.754
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.042
local terms energy: -98.144955
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -113.038831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.038831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.038831 (E_RNA)
where:
Base-Base interactions energy: -51.628
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.338
local terms energy: -61.073471
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -105.241800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.241800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.241800 (E_RNA)
where:
Base-Base interactions energy: -43.778
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.079
local terms energy: -61.384769
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -94.893473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.893473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.893473 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -12.399
Base-Backbone interact. energy: -0.573
local terms energy: -58.107420
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: 3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -368.088090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.088090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.088090 (E_RNA)
where:
Base-Base interactions energy: -254.580
where: short stacking energy: -103.020
Base-Backbone interact. energy: 0.947
local terms energy: -114.454843
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -33.981
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: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -351.858645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.858645 (E_RNA)
where:
Base-Base interactions energy: -242.403
where: short stacking energy: -92.333
Base-Backbone interact. energy: -0.221
local terms energy: -109.233829
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -32.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -359.054823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.054823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.054823 (E_RNA)
where:
Base-Base interactions energy: -245.990
where: short stacking energy: -103.464
Base-Backbone interact. energy: -0.004
local terms energy: -113.060985
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -332.489328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.489328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.489328 (E_RNA)
where:
Base-Base interactions energy: -227.941
where: short stacking energy: -90.290
Base-Backbone interact. energy: -0.337
local terms energy: -104.211479
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -31.648
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: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -310.225647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.225647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.225647 (E_RNA)
where:
Base-Base interactions energy: -201.801
where: short stacking energy: -86.611
Base-Backbone interact. energy: -0.001
local terms energy: -108.424609
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -30.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -330.444265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.444265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.444265 (E_RNA)
where:
Base-Base interactions energy: -223.903
where: short stacking energy: -91.151
Base-Backbone interact. energy: -0.171
local terms energy: -106.371105
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -321.129517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.129517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.129517 (E_RNA)
where:
Base-Base interactions energy: -222.226
where: short stacking energy: -87.459
Base-Backbone interact. energy: -0.102
local terms energy: -98.800801
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -29.509
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: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -109.901787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.901787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.901787 (E_RNA)
where:
Base-Base interactions energy: -42.979
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.174
local terms energy: -66.748912
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -103.693607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.693607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.693607 (E_RNA)
where:
Base-Base interactions energy: -48.521
where: short stacking energy: -29.582
Base-Backbone interact. energy: 0.755
local terms energy: -55.927797
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: 2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -91.639149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.639149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.639149 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -24.193
Base-Backbone interact. energy: -0.242
local terms energy: -58.215569
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -364.292637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.292637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.292637 (E_RNA)
where:
Base-Base interactions energy: -246.599
where: short stacking energy: -106.635
Base-Backbone interact. energy: -0.001
local terms energy: -117.693240
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -34.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -359.009989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.009989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.009989 (E_RNA)
where:
Base-Base interactions energy: -244.165
where: short stacking energy: -99.287
Base-Backbone interact. energy: -0.495
local terms energy: -114.350197
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -352.222538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.222538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.222538 (E_RNA)
where:
Base-Base interactions energy: -240.931
where: short stacking energy: -90.376
Base-Backbone interact. energy: -0.010
local terms energy: -111.282019
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -31.203
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -340.877105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.877105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.877105 (E_RNA)
where:
Base-Base interactions energy: -229.735
where: short stacking energy: -93.615
Base-Backbone interact. energy: -0.145
local terms energy: -110.997371
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -32.501
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -338.534521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.534521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.534521 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -89.988
Base-Backbone interact. energy: -0.113
local terms energy: -113.462290
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -33.170
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: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -324.302390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.302390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.302390 (E_RNA)
where:
Base-Base interactions energy: -217.936
where: short stacking energy: -89.520
Base-Backbone interact. energy: 1.440
local terms energy: -107.806031
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -24.819
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: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -302.205074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.205074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.205074 (E_RNA)
where:
Base-Base interactions energy: -202.458
where: short stacking energy: -83.597
Base-Backbone interact. energy: -0.108
local terms energy: -99.639416
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -26.192
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -110.003297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.003297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.003297 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.112
local terms energy: -71.273327
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -101.598819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.598819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.598819 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -14.582
Base-Backbone interact. energy: -0.214
local terms energy: -71.767781
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -95.202955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.202955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.202955 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -23.693
Base-Backbone interact. energy: 0.536
local terms energy: -66.179730
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -10.011
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: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -365.353282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.353282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.353282 (E_RNA)
where:
Base-Base interactions energy: -241.782
where: short stacking energy: -99.900
Base-Backbone interact. energy: -0.005
local terms energy: -123.566585
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -34.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -359.153733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.153733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.153733 (E_RNA)
where:
Base-Base interactions energy: -240.167
where: short stacking energy: -100.653
Base-Backbone interact. energy: -0.077
local terms energy: -118.909806
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -34.711
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: 295
Temperature: 1.000000
Total energy: -350.429988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.429988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.429988 (E_RNA)
where:
Base-Base interactions energy: -242.653
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.128
local terms energy: -107.649080
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -32.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -348.977134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.977134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.977134 (E_RNA)
where:
Base-Base interactions energy: -239.151
where: short stacking energy: -98.104
Base-Backbone interact. energy: -0.004
local terms energy: -109.822397
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -30.524
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: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -334.514923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.514923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.514923 (E_RNA)
where:
Base-Base interactions energy: -231.041
where: short stacking energy: -92.703
Base-Backbone interact. energy: -0.137
local terms energy: -103.337116
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -31.351
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: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -339.600847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.600847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.600847 (E_RNA)
where:
Base-Base interactions energy: -227.343
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.017
local terms energy: -112.240376
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -32.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -298.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.003588 (E_RNA)
where:
Base-Base interactions energy: -202.040
where: short stacking energy: -81.738
Base-Backbone interact. energy: -0.038
local terms energy: -95.925986
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -120.568655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.568655 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -38.565
Base-Backbone interact. energy: 0.376
local terms energy: -78.414185
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -15.197
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -98.519646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.519646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.519646 (E_RNA)
where:
Base-Base interactions energy: -22.852
where: short stacking energy: -22.852
Base-Backbone interact. energy: 0.737
local terms energy: -76.404296
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -9.783
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: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -105.494896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.494896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.494896 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -25.625
Base-Backbone interact. energy: 2.225
local terms energy: -60.757827
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -11.606
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: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -366.369016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.369016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.369016 (E_RNA)
where:
Base-Base interactions energy: -250.102
where: short stacking energy: -102.879
Base-Backbone interact. energy: -0.001
local terms energy: -116.266458
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -33.086
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: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -356.329095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.329095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.329095 (E_RNA)
where:
Base-Base interactions energy: -239.565
where: short stacking energy: -99.630
Base-Backbone interact. energy: -0.084
local terms energy: -116.679957
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -31.822
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -355.086106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.086106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.086106 (E_RNA)
where:
Base-Base interactions energy: -243.511
where: short stacking energy: -96.026
Base-Backbone interact. energy: -0.378
local terms energy: -111.197150
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -342.142152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.142152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.142152 (E_RNA)
where:
Base-Base interactions energy: -224.837
where: short stacking energy: -91.155
Base-Backbone interact. energy: -1.053
local terms energy: -116.252256
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -33.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -339.248325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.248325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.248325 (E_RNA)
where:
Base-Base interactions energy: -226.968
where: short stacking energy: -89.065
Base-Backbone interact. energy: -0.012
local terms energy: -112.267849
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -32.822
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: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -314.600333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.600333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.600333 (E_RNA)
where:
Base-Base interactions energy: -211.728
where: short stacking energy: -89.591
Base-Backbone interact. energy: -0.037
local terms energy: -102.835335
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -27.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -322.130047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.130047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.130047 (E_RNA)
where:
Base-Base interactions energy: -218.057
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.006
local terms energy: -104.067344
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -102.372501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.372501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.372501 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -23.428
Base-Backbone interact. energy: 0.234
local terms energy: -67.624831
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -14.611
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: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -103.628679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.628679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.628679 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.270
local terms energy: -62.656604
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -2.522
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: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -90.304430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.304430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.304430 (E_RNA)
where:
Base-Base interactions energy: -26.034
where: short stacking energy: -17.917
Base-Backbone interact. energy: -0.461
local terms energy: -63.809624
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -365.666924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.666924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.666924 (E_RNA)
where:
Base-Base interactions energy: -250.483
where: short stacking energy: -105.830
Base-Backbone interact. energy: -0.023
local terms energy: -115.161072
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -34.237
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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -354.724028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.724028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.724028 (E_RNA)
where:
Base-Base interactions energy: -236.031
where: short stacking energy: -93.795
Base-Backbone interact. energy: -0.869
local terms energy: -117.824155
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -31.427
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: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -353.753262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.753262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.753262 (E_RNA)
where:
Base-Base interactions energy: -233.745
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.002
local terms energy: -120.006235
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -37.386
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: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -339.035284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.035284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.035284 (E_RNA)
where:
Base-Base interactions energy: -227.821
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.020
local terms energy: -111.194212
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -331.182926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.182926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.182926 (E_RNA)
where:
Base-Base interactions energy: -225.110
where: short stacking energy: -87.476
Base-Backbone interact. energy: 0.172
local terms energy: -106.245098
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -311.162925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.162925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.162925 (E_RNA)
where:
Base-Base interactions energy: -207.774
where: short stacking energy: -91.129
Base-Backbone interact. energy: -0.010
local terms energy: -103.379111
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -30.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -310.891708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.891708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.891708 (E_RNA)
where:
Base-Base interactions energy: -209.850
where: short stacking energy: -89.457
Base-Backbone interact. energy: -0.031
local terms energy: -101.010715
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -98.946068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.946068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.946068 (E_RNA)
where:
Base-Base interactions energy: -25.660
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.465
local terms energy: -72.821511
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -112.217751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.217751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.217751 (E_RNA)
where:
Base-Base interactions energy: -55.174
where: short stacking energy: -28.054
Base-Backbone interact. energy: -0.601
local terms energy: -56.442692
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -91.421003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421003 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.180
local terms energy: -61.788723
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -8.945
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: 298
Temperature: 0.900000
Total energy: -366.669166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.669166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.669166 (E_RNA)
where:
Base-Base interactions energy: -249.582
where: short stacking energy: -108.090
Base-Backbone interact. energy: -0.004
local terms energy: -117.083062
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -352.594873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.594873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.594873 (E_RNA)
where:
Base-Base interactions energy: -242.278
where: short stacking energy: -100.884
Base-Backbone interact. energy: -0.011
local terms energy: -110.305755
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -33.161
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: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -346.841151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.841151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.841151 (E_RNA)
where:
Base-Base interactions energy: -243.113
where: short stacking energy: -98.948
Base-Backbone interact. energy: 0.060
local terms energy: -103.788554
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -30.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -359.589505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.589505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.589505 (E_RNA)
where:
Base-Base interactions energy: -245.261
where: short stacking energy: -97.872
Base-Backbone interact. energy: -0.003
local terms energy: -114.325533
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -35.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -341.198932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.198932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.198932 (E_RNA)
where:
Base-Base interactions energy: -238.594
where: short stacking energy: -100.094
Base-Backbone interact. energy: -0.002
local terms energy: -102.603103
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -293.835004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.835004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.835004 (E_RNA)
where:
Base-Base interactions energy: -194.446
where: short stacking energy: -76.898
Base-Backbone interact. energy: -0.026
local terms energy: -99.363787
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -295.348953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.348953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.348953 (E_RNA)
where:
Base-Base interactions energy: -202.496
where: short stacking energy: -83.975
Base-Backbone interact. energy: -0.285
local terms energy: -92.568261
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -26.117
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: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -110.825246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.825246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.825246 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -29.268
Base-Backbone interact. energy: -1.278
local terms energy: -77.471090
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -12.146
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: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -93.137024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.137024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.137024 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.576
local terms energy: -65.070887
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -2.578
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: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -94.628339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.628339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.628339 (E_RNA)
where:
Base-Base interactions energy: -29.772
where: short stacking energy: -18.714
Base-Backbone interact. energy: 0.571
local terms energy: -65.427516
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: 2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -366.332441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.332441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.332441 (E_RNA)
where:
Base-Base interactions energy: -245.005
where: short stacking energy: -104.538
Base-Backbone interact. energy: -0.356
local terms energy: -120.972276
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -24.356
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -359.205739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.205739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.205739 (E_RNA)
where:
Base-Base interactions energy: -248.381
where: short stacking energy: -100.071
Base-Backbone interact. energy: -0.004
local terms energy: -110.820430
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -343.793056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.793056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.793056 (E_RNA)
where:
Base-Base interactions energy: -228.164
where: short stacking energy: -92.935
Base-Backbone interact. energy: -0.097
local terms energy: -115.532033
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -32.016
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: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -338.964365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.964365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.964365 (E_RNA)
where:
Base-Base interactions energy: -232.903
where: short stacking energy: -92.629
Base-Backbone interact. energy: 1.133
local terms energy: -107.194427
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -34.878
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: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -348.494048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.494048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.494048 (E_RNA)
where:
Base-Base interactions energy: -237.139
where: short stacking energy: -97.240
Base-Backbone interact. energy: -0.105
local terms energy: -111.249209
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -325.489803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.489803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.489803 (E_RNA)
where:
Base-Base interactions energy: -224.440
where: short stacking energy: -83.567
Base-Backbone interact. energy: -0.613
local terms energy: -100.436423
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -30.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -303.571228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.571228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.571228 (E_RNA)
where:
Base-Base interactions energy: -211.846
where: short stacking energy: -83.338
Base-Backbone interact. energy: -0.009
local terms energy: -91.715710
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -104.230980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.230980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.230980 (E_RNA)
where:
Base-Base interactions energy: -24.176
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.339
local terms energy: -79.715912
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.276
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: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -93.936017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.936017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.936017 (E_RNA)
where:
Base-Base interactions energy: -23.345
where: short stacking energy: -20.180
Base-Backbone interact. energy: -0.222
local terms energy: -70.368536
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -104.287566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.287566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.287566 (E_RNA)
where:
Base-Base interactions energy: -27.705
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.281
local terms energy: -76.301307
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -7.848
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: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -364.300569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.300569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.300569 (E_RNA)
where:
Base-Base interactions energy: -251.129
where: short stacking energy: -101.916
Base-Backbone interact. energy: -0.020
local terms energy: -113.152009
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -32.391
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: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -361.536823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.536823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.536823 (E_RNA)
where:
Base-Base interactions energy: -245.118
where: short stacking energy: -101.643
Base-Backbone interact. energy: -0.026
local terms energy: -116.392470
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -31.524
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: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -345.144272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.144272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.144272 (E_RNA)
where:
Base-Base interactions energy: -231.583
where: short stacking energy: -90.728
Base-Backbone interact. energy: -1.485
local terms energy: -112.076289
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -31.943
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: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -338.583166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.583166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.583166 (E_RNA)
where:
Base-Base interactions energy: -233.457
where: short stacking energy: -91.531
Base-Backbone interact. energy: -0.048
local terms energy: -105.077781
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -29.592
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: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -347.322995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.322995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.322995 (E_RNA)
where:
Base-Base interactions energy: -235.585
where: short stacking energy: -93.834
Base-Backbone interact. energy: -0.093
local terms energy: -111.645068
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -333.764713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.764713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.764713 (E_RNA)
where:
Base-Base interactions energy: -231.367
where: short stacking energy: -93.526
Base-Backbone interact. energy: -0.002
local terms energy: -102.395695
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -28.753
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: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -315.070476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.070476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.070476 (E_RNA)
where:
Base-Base interactions energy: -215.669
where: short stacking energy: -82.136
Base-Backbone interact. energy: -0.096
local terms energy: -99.305974
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -28.167
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: 300
Temperature: 1.250000
Total energy: -113.237023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.237023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.237023 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -31.608
Base-Backbone interact. energy: 0.288
local terms energy: -74.168722
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -7.953
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: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -108.443433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.443433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.443433 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.299
local terms energy: -72.087613
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -13.336
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: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -100.651844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.651844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.651844 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -21.353
Base-Backbone interact. energy: -0.216
local terms energy: -64.569581
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: 2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -367.230757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.230757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.230757 (E_RNA)
where:
Base-Base interactions energy: -242.558
where: short stacking energy: -98.175
Base-Backbone interact. energy: -0.612
local terms energy: -124.060431
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -32.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -350.835665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.835665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.835665 (E_RNA)
where:
Base-Base interactions energy: -234.571
where: short stacking energy: -94.039
Base-Backbone interact. energy: -0.003
local terms energy: -116.260790
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -35.121
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: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -344.183778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.183778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.183778 (E_RNA)
where:
Base-Base interactions energy: -230.995
where: short stacking energy: -95.047
Base-Backbone interact. energy: -0.383
local terms energy: -112.805479
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -346.635504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.635504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.635504 (E_RNA)
where:
Base-Base interactions energy: -233.218
where: short stacking energy: -96.824
Base-Backbone interact. energy: -0.015
local terms energy: -113.402632
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -34.185
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: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -331.865260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.865260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.865260 (E_RNA)
where:
Base-Base interactions energy: -231.959
where: short stacking energy: -91.291
Base-Backbone interact. energy: -1.780
local terms energy: -98.126914
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -337.092010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.092010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.092010 (E_RNA)
where:
Base-Base interactions energy: -230.169
where: short stacking energy: -93.182
Base-Backbone interact. energy: -0.373
local terms energy: -106.550403
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -316.433028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.433028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.433028 (E_RNA)
where:
Base-Base interactions energy: -214.761
where: short stacking energy: -82.562
Base-Backbone interact. energy: -0.129
local terms energy: -101.543322
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -125.718530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.718530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.718530 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -47.565
Base-Backbone interact. energy: 0.836
local terms energy: -74.198542
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -105.487733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.487733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.487733 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.193
local terms energy: -62.306689
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -11.443
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: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -102.577962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.577962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.577962 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -18.282
Base-Backbone interact. energy: 1.176
local terms energy: -73.089224
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -14.271
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: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -364.853467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.853467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.853467 (E_RNA)
where:
Base-Base interactions energy: -251.089
where: short stacking energy: -103.817
Base-Backbone interact. energy: -0.002
local terms energy: -113.762932
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -36.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -363.845073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.845073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.845073 (E_RNA)
where:
Base-Base interactions energy: -246.250
where: short stacking energy: -99.543
Base-Backbone interact. energy: -0.009
local terms energy: -117.585839
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -32.551
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: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -347.605307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.605307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.605307 (E_RNA)
where:
Base-Base interactions energy: -239.172
where: short stacking energy: -95.553
Base-Backbone interact. energy: -0.053
local terms energy: -108.380695
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -33.711
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -342.884480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.884480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.884480 (E_RNA)
where:
Base-Base interactions energy: -232.904
where: short stacking energy: -92.169
Base-Backbone interact. energy: -0.014
local terms energy: -109.966725
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -32.786
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: 302
Temperature: 1.100000
Total energy: -334.819693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.819693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.819693 (E_RNA)
where:
Base-Base interactions energy: -234.583
where: short stacking energy: -96.054
Base-Backbone interact. energy: -0.033
local terms energy: -100.203601
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -29.901
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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -338.386756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.386756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.386756 (E_RNA)
where:
Base-Base interactions energy: -230.799
where: short stacking energy: -91.771
Base-Backbone interact. energy: 0.217
local terms energy: -107.804297
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -31.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -302.677866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.677866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.677866 (E_RNA)
where:
Base-Base interactions energy: -208.770
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.015
local terms energy: -93.893083
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -127.308600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.308600 (E_RNA)
where:
Base-Base interactions energy: -62.137
where: short stacking energy: -33.466
Base-Backbone interact. energy: -1.004
local terms energy: -64.167538
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -96.266278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.266278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.266278 (E_RNA)
where:
Base-Base interactions energy: -39.564
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.493
local terms energy: -56.209377
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: 6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -85.638091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638091 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -25.673
Base-Backbone interact. energy: 0.892
local terms energy: -55.771090
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -362.670036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.670036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.670036 (E_RNA)
where:
Base-Base interactions energy: -248.954
where: short stacking energy: -102.761
Base-Backbone interact. energy: -0.118
local terms energy: -113.598011
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -35.013
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: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -360.882714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.882714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.882714 (E_RNA)
where:
Base-Base interactions energy: -244.608
where: short stacking energy: -99.914
Base-Backbone interact. energy: -0.012
local terms energy: -116.263007
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -343.165939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.165939 (E_RNA)
where:
Base-Base interactions energy: -232.300
where: short stacking energy: -91.212
Base-Backbone interact. energy: -0.033
local terms energy: -110.833527
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -35.952
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: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -351.324673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.324673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.324673 (E_RNA)
where:
Base-Base interactions energy: -237.301
where: short stacking energy: -84.728
Base-Backbone interact. energy: -0.717
local terms energy: -113.307296
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -335.025125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.025125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.025125 (E_RNA)
where:
Base-Base interactions energy: -230.633
where: short stacking energy: -90.890
Base-Backbone interact. energy: 2.175
local terms energy: -106.567227
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -29.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -312.521033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.521033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.521033 (E_RNA)
where:
Base-Base interactions energy: -201.909
where: short stacking energy: -85.535
Base-Backbone interact. energy: -0.135
local terms energy: -110.477179
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -32.393
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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -314.587264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.587264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.587264 (E_RNA)
where:
Base-Base interactions energy: -209.294
where: short stacking energy: -83.410
Base-Backbone interact. energy: -0.111
local terms energy: -105.182560
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -32.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -116.922515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.922515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.922515 (E_RNA)
where:
Base-Base interactions energy: -56.994
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.560
local terms energy: -59.368801
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -4.031
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -97.124278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.124278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.124278 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -20.891
Base-Backbone interact. energy: -0.068
local terms energy: -66.878717
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: 2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -101.708522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708522 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.141
local terms energy: -57.050905
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -5.992
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: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -360.072279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.072279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.072279 (E_RNA)
where:
Base-Base interactions energy: -243.690
where: short stacking energy: -102.802
Base-Backbone interact. energy: -0.022
local terms energy: -116.360373
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -32.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -354.006733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.006733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.006733 (E_RNA)
where:
Base-Base interactions energy: -234.956
where: short stacking energy: -100.663
Base-Backbone interact. energy: -0.003
local terms energy: -119.047218
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -359.421560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.421560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.421560 (E_RNA)
where:
Base-Base interactions energy: -243.544
where: short stacking energy: -106.958
Base-Backbone interact. energy: -0.098
local terms energy: -115.779663
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -36.630
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: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -354.462302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.462302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.462302 (E_RNA)
where:
Base-Base interactions energy: -245.121
where: short stacking energy: -98.169
Base-Backbone interact. energy: -0.185
local terms energy: -109.156461
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -33.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -339.597733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.597733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.597733 (E_RNA)
where:
Base-Base interactions energy: -233.271
where: short stacking energy: -90.016
Base-Backbone interact. energy: -0.037
local terms energy: -106.289940
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -29.618
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -314.308425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.308425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.308425 (E_RNA)
where:
Base-Base interactions energy: -214.252
where: short stacking energy: -91.804
Base-Backbone interact. energy: -0.057
local terms energy: -100.000236
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -29.215
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: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -331.573781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.573781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.573781 (E_RNA)
where:
Base-Base interactions energy: -221.013
where: short stacking energy: -83.283
Base-Backbone interact. energy: -0.406
local terms energy: -110.154762
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -32.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -114.935378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.935378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.935378 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.326
local terms energy: -65.815134
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -105.774335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.774335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.774335 (E_RNA)
where:
Base-Base interactions energy: -36.942
where: short stacking energy: -31.274
Base-Backbone interact. energy: -1.830
local terms energy: -67.002869
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.969
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: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -104.169562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169562 (E_RNA)
where:
Base-Base interactions energy: -37.200
where: short stacking energy: -26.759
Base-Backbone interact. energy: 4.183
local terms energy: -71.151898
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -0.779
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: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -365.004970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.004970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.004970 (E_RNA)
where:
Base-Base interactions energy: -242.610
where: short stacking energy: -106.799
Base-Backbone interact. energy: -0.003
local terms energy: -122.391833
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -35.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -352.136697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.136697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.136697 (E_RNA)
where:
Base-Base interactions energy: -237.802
where: short stacking energy: -98.769
Base-Backbone interact. energy: -0.003
local terms energy: -114.331171
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -357.363024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.363024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.363024 (E_RNA)
where:
Base-Base interactions energy: -244.329
where: short stacking energy: -98.656
Base-Backbone interact. energy: -0.515
local terms energy: -112.519055
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -337.682202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.682202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.682202 (E_RNA)
where:
Base-Base interactions energy: -223.970
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.086
local terms energy: -113.626854
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -338.560678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.560678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.560678 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -92.008
Base-Backbone interact. energy: -1.134
local terms energy: -108.071096
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -31.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -334.129143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.129143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.129143 (E_RNA)
where:
Base-Base interactions energy: -228.715
where: short stacking energy: -92.589
Base-Backbone interact. energy: -0.079
local terms energy: -105.335358
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -29.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -292.448118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.448118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.448118 (E_RNA)
where:
Base-Base interactions energy: -213.134
where: short stacking energy: -84.879
Base-Backbone interact. energy: -0.077
local terms energy: -79.237239
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -103.020954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.020954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.020954 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -32.583
Base-Backbone interact. energy: -0.103
local terms energy: -68.186394
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -112.436010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.436010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.436010 (E_RNA)
where:
Base-Base interactions energy: -54.679
where: short stacking energy: -38.718
Base-Backbone interact. energy: -0.338
local terms energy: -57.418783
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.704
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: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -97.474111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.474111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.474111 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.311
local terms energy: -65.219953
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -364.700018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.700018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.700018 (E_RNA)
where:
Base-Base interactions energy: -245.729
where: short stacking energy: -100.727
Base-Backbone interact. energy: -0.003
local terms energy: -118.967983
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -355.778471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.778471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.778471 (E_RNA)
where:
Base-Base interactions energy: -234.099
where: short stacking energy: -93.127
Base-Backbone interact. energy: -0.018
local terms energy: -121.660596
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -33.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -345.499604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.499604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.499604 (E_RNA)
where:
Base-Base interactions energy: -245.192
where: short stacking energy: -106.134
Base-Backbone interact. energy: -0.009
local terms energy: -100.298488
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -34.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -332.946839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.946839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.946839 (E_RNA)
where:
Base-Base interactions energy: -227.705
where: short stacking energy: -91.536
Base-Backbone interact. energy: -0.176
local terms energy: -105.065553
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -31.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -324.705423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.705423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.705423 (E_RNA)
where:
Base-Base interactions energy: -220.767
where: short stacking energy: -88.519
Base-Backbone interact. energy: 0.833
local terms energy: -104.771938
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -329.282960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.282960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.282960 (E_RNA)
where:
Base-Base interactions energy: -223.372
where: short stacking energy: -88.550
Base-Backbone interact. energy: 0.260
local terms energy: -106.170884
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -30.172
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -309.501254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.501254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.501254 (E_RNA)
where:
Base-Base interactions energy: -219.411
where: short stacking energy: -90.687
Base-Backbone interact. energy: -0.111
local terms energy: -89.979272
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -28.758
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -110.583811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.583811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.583811 (E_RNA)
where:
Base-Base interactions energy: -34.750
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.578
local terms energy: -75.256079
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -105.726628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726628 (E_RNA)
where:
Base-Base interactions energy: -42.484
where: short stacking energy: -24.465
Base-Backbone interact. energy: 0.027
local terms energy: -63.269588
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -13.274
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: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -96.163216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.163216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.163216 (E_RNA)
where:
Base-Base interactions energy: -26.126
where: short stacking energy: -18.342
Base-Backbone interact. energy: -0.842
local terms energy: -69.195904
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -383.821205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.821205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.821205 (E_RNA)
where:
Base-Base interactions energy: -270.007
where: short stacking energy: -103.964
Base-Backbone interact. energy: -0.020
local terms energy: -113.794296
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -359.984999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.984999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.984999 (E_RNA)
where:
Base-Base interactions energy: -238.590
where: short stacking energy: -99.742
Base-Backbone interact. energy: -0.546
local terms energy: -120.849420
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -32.065
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: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -340.629283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.629283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.629283 (E_RNA)
where:
Base-Base interactions energy: -233.593
where: short stacking energy: -97.039
Base-Backbone interact. energy: -0.085
local terms energy: -106.950996
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -31.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -344.540852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.540852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.540852 (E_RNA)
where:
Base-Base interactions energy: -234.920
where: short stacking energy: -91.080
Base-Backbone interact. energy: -0.005
local terms energy: -109.616099
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -325.092105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.092105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.092105 (E_RNA)
where:
Base-Base interactions energy: -214.912
where: short stacking energy: -86.082
Base-Backbone interact. energy: -0.759
local terms energy: -109.421279
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -30.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -329.351901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.351901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.351901 (E_RNA)
where:
Base-Base interactions energy: -232.408
where: short stacking energy: -85.815
Base-Backbone interact. energy: -0.471
local terms energy: -96.473068
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -315.580874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.580874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.580874 (E_RNA)
where:
Base-Base interactions energy: -214.191
where: short stacking energy: -86.330
Base-Backbone interact. energy: -0.060
local terms energy: -101.329407
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -105.989245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.989245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.989245 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -31.570
Base-Backbone interact. energy: -0.350
local terms energy: -72.120352
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -15.857
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: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -102.833765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.833765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.833765 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.156
local terms energy: -66.707006
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -6.358
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: 307
Temperature: 1.350000
Total energy: -99.248816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.248816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.248816 (E_RNA)
where:
Base-Base interactions energy: -29.919
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.062
local terms energy: -69.267966
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: 0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -361.852390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.852390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.852390 (E_RNA)
where:
Base-Base interactions energy: -248.294
where: short stacking energy: -99.241
Base-Backbone interact. energy: -0.177
local terms energy: -113.382248
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -32.599
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: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -357.308846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.308846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.308846 (E_RNA)
where:
Base-Base interactions energy: -238.654
where: short stacking energy: -105.700
Base-Backbone interact. energy: -0.009
local terms energy: -118.645722
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -35.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -348.753130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.753130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.753130 (E_RNA)
where:
Base-Base interactions energy: -232.130
where: short stacking energy: -89.282
Base-Backbone interact. energy: -1.145
local terms energy: -115.478604
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -32.813
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: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -337.718857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.718857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.718857 (E_RNA)
where:
Base-Base interactions energy: -218.506
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.020
local terms energy: -119.192657
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -34.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -335.868690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.868690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.868690 (E_RNA)
where:
Base-Base interactions energy: -235.172
where: short stacking energy: -102.319
Base-Backbone interact. energy: -0.004
local terms energy: -100.692388
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -34.146
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -313.771058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.771058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.771058 (E_RNA)
where:
Base-Base interactions energy: -214.581
where: short stacking energy: -89.708
Base-Backbone interact. energy: -1.768
local terms energy: -97.422250
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -309.275679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.275679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.275679 (E_RNA)
where:
Base-Base interactions energy: -213.229
where: short stacking energy: -83.092
Base-Backbone interact. energy: -0.371
local terms energy: -95.676055
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -115.528332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.528332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.528332 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -25.585
Base-Backbone interact. energy: -0.705
local terms energy: -58.611183
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -7.468
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: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.202596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202596 (E_RNA)
where:
Base-Base interactions energy: -36.691
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.218
local terms energy: -70.294101
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -109.866769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.866769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.866769 (E_RNA)
where:
Base-Base interactions energy: -46.525
where: short stacking energy: -22.890
Base-Backbone interact. energy: -0.308
local terms energy: -63.033202
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: 4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -364.015102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.015102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.015102 (E_RNA)
where:
Base-Base interactions energy: -241.868
where: short stacking energy: -102.220
Base-Backbone interact. energy: 0.733
local terms energy: -122.880818
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -32.746
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: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -362.891789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.891789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.891789 (E_RNA)
where:
Base-Base interactions energy: -240.694
where: short stacking energy: -95.704
Base-Backbone interact. energy: -0.027
local terms energy: -122.170601
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -34.268
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: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -354.367548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.367548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.367548 (E_RNA)
where:
Base-Base interactions energy: -233.333
where: short stacking energy: -100.244
Base-Backbone interact. energy: 0.102
local terms energy: -121.136423
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -33.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -358.411843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.411843 (E_RNA)
where:
Base-Base interactions energy: -246.839
where: short stacking energy: -100.829
Base-Backbone interact. energy: -0.014
local terms energy: -111.559136
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -35.882
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -329.854720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.854720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.854720 (E_RNA)
where:
Base-Base interactions energy: -227.126
where: short stacking energy: -89.484
Base-Backbone interact. energy: -0.159
local terms energy: -102.570285
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -31.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -324.038726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.038726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.038726 (E_RNA)
where:
Base-Base interactions energy: -220.393
where: short stacking energy: -92.301
Base-Backbone interact. energy: -0.224
local terms energy: -103.422359
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -340.531554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.531554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.531554 (E_RNA)
where:
Base-Base interactions energy: -234.445
where: short stacking energy: -100.185
Base-Backbone interact. energy: -0.028
local terms energy: -106.059107
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -110.952117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.952117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.952117 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -35.702
Base-Backbone interact. energy: -0.460
local terms energy: -66.001590
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -90.150966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.150966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.150966 (E_RNA)
where:
Base-Base interactions energy: -24.162
where: short stacking energy: -18.431
Base-Backbone interact. energy: -0.420
local terms energy: -65.568831
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: 6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -94.423161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.423161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.423161 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -23.900
Base-Backbone interact. energy: 0.997
local terms energy: -57.305135
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: 3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -363.853527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.853527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.853527 (E_RNA)
where:
Base-Base interactions energy: -245.832
where: short stacking energy: -99.405
Base-Backbone interact. energy: -0.296
local terms energy: -117.725719
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -33.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -365.749595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.749595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.749595 (E_RNA)
where:
Base-Base interactions energy: -246.942
where: short stacking energy: -98.613
Base-Backbone interact. energy: -0.001
local terms energy: -118.806360
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -359.206477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.206477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.206477 (E_RNA)
where:
Base-Base interactions energy: -242.354
where: short stacking energy: -106.130
Base-Backbone interact. energy: -0.001
local terms energy: -116.851200
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -33.573
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: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -346.503647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.503647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.503647 (E_RNA)
where:
Base-Base interactions energy: -239.813
where: short stacking energy: -94.699
Base-Backbone interact. energy: -0.007
local terms energy: -106.683887
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -345.147275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.147275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.147275 (E_RNA)
where:
Base-Base interactions energy: -242.461
where: short stacking energy: -91.769
Base-Backbone interact. energy: -0.061
local terms energy: -102.626128
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -29.812
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: 310
Temperature: 1.150000
Total energy: -332.886098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.886098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.886098 (E_RNA)
where:
Base-Base interactions energy: -218.741
where: short stacking energy: -87.504
Base-Backbone interact. energy: -0.024
local terms energy: -114.121666
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -33.725
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -316.766580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.766580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.766580 (E_RNA)
where:
Base-Base interactions energy: -215.975
where: short stacking energy: -78.574
Base-Backbone interact. energy: -0.037
local terms energy: -100.754716
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -31.027
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: 310
Temperature: 1.250000
Total energy: -116.147288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.147288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.147288 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -33.473
Base-Backbone interact. energy: -0.242
local terms energy: -69.219993
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.025
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: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -105.558048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.558048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.558048 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -21.814
Base-Backbone interact. energy: 0.750
local terms energy: -72.918828
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -10.087
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: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -90.720400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720400 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -14.171
Base-Backbone interact. energy: -0.772
local terms energy: -53.874389
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: 0.676
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: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -362.898519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.898519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.898519 (E_RNA)
where:
Base-Base interactions energy: -244.973
where: short stacking energy: -102.910
Base-Backbone interact. energy: -0.123
local terms energy: -117.802143
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -31.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -355.976424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.976424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.976424 (E_RNA)
where:
Base-Base interactions energy: -243.579
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.008
local terms energy: -112.389782
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -31.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -362.259688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.259688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.259688 (E_RNA)
where:
Base-Base interactions energy: -250.341
where: short stacking energy: -101.414
Base-Backbone interact. energy: -0.005
local terms energy: -111.913105
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -34.533
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: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -338.130931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.130931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.130931 (E_RNA)
where:
Base-Base interactions energy: -223.008
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.048
local terms energy: -115.074895
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -336.453007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.453007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.453007 (E_RNA)
where:
Base-Base interactions energy: -229.245
where: short stacking energy: -92.027
Base-Backbone interact. energy: -0.017
local terms energy: -107.191233
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -325.729093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.729093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.729093 (E_RNA)
where:
Base-Base interactions energy: -222.690
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.146
local terms energy: -102.893155
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -29.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -325.763320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.763320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.763320 (E_RNA)
where:
Base-Base interactions energy: -224.212
where: short stacking energy: -95.359
Base-Backbone interact. energy: -0.011
local terms energy: -101.539654
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -30.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -131.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.292415 (E_RNA)
where:
Base-Base interactions energy: -68.423
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.778
local terms energy: -62.091627
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -95.967591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.967591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.967591 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -26.754
Base-Backbone interact. energy: -1.149
local terms energy: -54.176898
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -100.321713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321713 (E_RNA)
where:
Base-Base interactions energy: -29.699
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.117
local terms energy: -70.505811
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: 3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -353.991123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.991123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.991123 (E_RNA)
where:
Base-Base interactions energy: -244.109
where: short stacking energy: -101.094
Base-Backbone interact. energy: -0.014
local terms energy: -109.867636
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -359.578332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.578332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.578332 (E_RNA)
where:
Base-Base interactions energy: -239.057
where: short stacking energy: -91.463
Base-Backbone interact. energy: -0.025
local terms energy: -120.495985
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -33.995
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: 312
Temperature: 1.000000
Total energy: -347.989687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.989687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.989687 (E_RNA)
where:
Base-Base interactions energy: -235.272
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.012
local terms energy: -112.705486
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -30.174
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: 312
Temperature: 1.050000
Total energy: -352.703167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.703167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.703167 (E_RNA)
where:
Base-Base interactions energy: -234.754
where: short stacking energy: -99.709
Base-Backbone interact. energy: 0.084
local terms energy: -118.033872
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -35.930
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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -338.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.685688 (E_RNA)
where:
Base-Base interactions energy: -226.943
where: short stacking energy: -92.171
Base-Backbone interact. energy: -0.011
local terms energy: -111.731655
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -312.141412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.141412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.141412 (E_RNA)
where:
Base-Base interactions energy: -211.650
where: short stacking energy: -80.251
Base-Backbone interact. energy: -0.182
local terms energy: -100.309122
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -328.046732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.046732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.046732 (E_RNA)
where:
Base-Base interactions energy: -225.638
where: short stacking energy: -81.465
Base-Backbone interact. energy: -0.059
local terms energy: -102.349932
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -30.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -104.413067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.413067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.413067 (E_RNA)
where:
Base-Base interactions energy: -39.849
where: short stacking energy: -25.347
Base-Backbone interact. energy: 0.381
local terms energy: -64.945549
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -95.283111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283111 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -28.994
Base-Backbone interact. energy: 0.566
local terms energy: -66.855812
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -7.433
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: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -91.036253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.036253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.036253 (E_RNA)
where:
Base-Base interactions energy: -31.408
where: short stacking energy: -30.767
Base-Backbone interact. energy: 1.263
local terms energy: -60.890504
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -361.613289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.613289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.613289 (E_RNA)
where:
Base-Base interactions energy: -242.363
where: short stacking energy: -99.508
Base-Backbone interact. energy: -0.637
local terms energy: -118.613459
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -30.898
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -370.123566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.123566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.123566 (E_RNA)
where:
Base-Base interactions energy: -253.986
where: short stacking energy: -101.548
Base-Backbone interact. energy: -0.709
local terms energy: -115.427889
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -362.417073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.417073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.417073 (E_RNA)
where:
Base-Base interactions energy: -249.118
where: short stacking energy: -102.838
Base-Backbone interact. energy: 0.985
local terms energy: -114.284434
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -344.769186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.769186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.769186 (E_RNA)
where:
Base-Base interactions energy: -234.109
where: short stacking energy: -95.622
Base-Backbone interact. energy: -0.002
local terms energy: -110.657484
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -30.769
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: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -332.648727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.648727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.648727 (E_RNA)
where:
Base-Base interactions energy: -225.697
where: short stacking energy: -85.710
Base-Backbone interact. energy: -0.403
local terms energy: -106.548621
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -24.256
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -29.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -314.971044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.971044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.971044 (E_RNA)
where:
Base-Base interactions energy: -215.110
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.585
local terms energy: -99.276089
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -327.259898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.259898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.259898 (E_RNA)
where:
Base-Base interactions energy: -221.476
where: short stacking energy: -85.056
Base-Backbone interact. energy: -0.072
local terms energy: -105.711759
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -113.918950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.918950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.918950 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -41.924
Base-Backbone interact. energy: -0.273
local terms energy: -69.419757
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -107.616764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.616764 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -38.795
Base-Backbone interact. energy: -1.893
local terms energy: -62.456813
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -96.527397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527397 (E_RNA)
where:
Base-Base interactions energy: -29.765
where: short stacking energy: -28.413
Base-Backbone interact. energy: -0.896
local terms energy: -65.866321
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -362.603516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.603516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.603516 (E_RNA)
where:
Base-Base interactions energy: -243.893
where: short stacking energy: -105.486
Base-Backbone interact. energy: -0.945
local terms energy: -117.765539
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -31.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -358.160185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.160185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.160185 (E_RNA)
where:
Base-Base interactions energy: -241.362
where: short stacking energy: -101.151
Base-Backbone interact. energy: -0.048
local terms energy: -116.749830
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -348.842343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.842343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.842343 (E_RNA)
where:
Base-Base interactions energy: -233.763
where: short stacking energy: -100.604
Base-Backbone interact. energy: -0.141
local terms energy: -114.937870
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -348.095856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.095856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.095856 (E_RNA)
where:
Base-Base interactions energy: -235.330
where: short stacking energy: -101.839
Base-Backbone interact. energy: -0.015
local terms energy: -112.750762
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -319.909383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.909383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.909383 (E_RNA)
where:
Base-Base interactions energy: -216.082
where: short stacking energy: -90.114
Base-Backbone interact. energy: -0.004
local terms energy: -103.823357
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -28.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -339.894104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.894104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.894104 (E_RNA)
where:
Base-Base interactions energy: -227.038
where: short stacking energy: -89.787
Base-Backbone interact. energy: -0.005
local terms energy: -112.850819
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -34.167
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: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -320.555711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.555711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.555711 (E_RNA)
where:
Base-Base interactions energy: -222.304
where: short stacking energy: -86.129
Base-Backbone interact. energy: 0.955
local terms energy: -99.206813
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -30.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -106.673073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.673073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.673073 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -35.316
Base-Backbone interact. energy: -0.345
local terms energy: -67.624235
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -11.589
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: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -105.158286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.158286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.158286 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -28.884
Base-Backbone interact. energy: -0.269
local terms energy: -63.304670
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -107.792303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.792303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.792303 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.150
local terms energy: -59.316117
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: 3.185
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: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -367.889652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.889652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.889652 (E_RNA)
where:
Base-Base interactions energy: -241.016
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.661
local terms energy: -126.212826
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -34.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -350.144676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.144676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.144676 (E_RNA)
where:
Base-Base interactions energy: -237.298
where: short stacking energy: -98.827
Base-Backbone interact. energy: -0.574
local terms energy: -112.271980
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -31.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -353.053846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.053846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.053846 (E_RNA)
where:
Base-Base interactions energy: -238.243
where: short stacking energy: -93.420
Base-Backbone interact. energy: -1.736
local terms energy: -113.075648
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -34.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -336.847093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.847093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.847093 (E_RNA)
where:
Base-Base interactions energy: -223.620
where: short stacking energy: -84.944
Base-Backbone interact. energy: -0.087
local terms energy: -113.140091
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -323.714428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.714428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.714428 (E_RNA)
where:
Base-Base interactions energy: -227.696
where: short stacking energy: -96.559
Base-Backbone interact. energy: -0.003
local terms energy: -96.015186
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -28.249
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: 315
Temperature: 1.150000
Total energy: -310.073818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.073818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.073818 (E_RNA)
where:
Base-Base interactions energy: -211.458
where: short stacking energy: -82.445
Base-Backbone interact. energy: 1.011
local terms energy: -99.626426
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -322.804152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.804152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.804152 (E_RNA)
where:
Base-Base interactions energy: -219.659
where: short stacking energy: -84.767
Base-Backbone interact. energy: 0.143
local terms energy: -103.288610
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -26.584
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: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -112.717852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.717852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.717852 (E_RNA)
where:
Base-Base interactions energy: -44.513
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.296
local terms energy: -67.909265
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -9.270
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: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -105.751045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.751045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.751045 (E_RNA)
where:
Base-Base interactions energy: -39.688
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.015
local terms energy: -66.048117
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -7.333
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: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -109.100777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.100777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.100777 (E_RNA)
where:
Base-Base interactions energy: -46.944
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.237
local terms energy: -61.919587
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -12.808
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: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -371.738534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.738534 (E_RNA)
where:
Base-Base interactions energy: -245.947
where: short stacking energy: -103.793
Base-Backbone interact. energy: -0.006
local terms energy: -125.785572
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -359.682125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.682125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.682125 (E_RNA)
where:
Base-Base interactions energy: -242.477
where: short stacking energy: -97.269
Base-Backbone interact. energy: -0.136
local terms energy: -117.069124
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -34.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -344.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.548994 (E_RNA)
where:
Base-Base interactions energy: -239.137
where: short stacking energy: -91.256
Base-Backbone interact. energy: -0.265
local terms energy: -105.147032
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -348.614540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.614540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.614540 (E_RNA)
where:
Base-Base interactions energy: -237.193
where: short stacking energy: -94.304
Base-Backbone interact. energy: -0.240
local terms energy: -111.181171
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -28.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -320.346731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.346731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.346731 (E_RNA)
where:
Base-Base interactions energy: -214.907
where: short stacking energy: -85.733
Base-Backbone interact. energy: -0.062
local terms energy: -105.377785
where:
bonds (distance) C4'-P energy: -22.650
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -329.512348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.512348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.512348 (E_RNA)
where:
Base-Base interactions energy: -233.998
where: short stacking energy: -84.573
Base-Backbone interact. energy: -0.080
local terms energy: -95.434015
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -28.910
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: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -310.424542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.424542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.424542 (E_RNA)
where:
Base-Base interactions energy: -207.722
where: short stacking energy: -82.722
Base-Backbone interact. energy: -0.118
local terms energy: -102.585334
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -108.724022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.724022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.724022 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.433
local terms energy: -71.145405
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -14.008
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: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -108.344663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.344663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.344663 (E_RNA)
where:
Base-Base interactions energy: -54.332
where: short stacking energy: -26.541
Base-Backbone interact. energy: -1.473
local terms energy: -52.539198
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.120
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: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -103.221948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.221948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.221948 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.210
local terms energy: -69.518825
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -356.968891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.968891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.968891 (E_RNA)
where:
Base-Base interactions energy: -236.846
where: short stacking energy: -88.898
Base-Backbone interact. energy: -0.112
local terms energy: -120.010658
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -361.558343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.558343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.558343 (E_RNA)
where:
Base-Base interactions energy: -247.720
where: short stacking energy: -98.331
Base-Backbone interact. energy: -0.027
local terms energy: -113.811757
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -347.312880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.312880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.312880 (E_RNA)
where:
Base-Base interactions energy: -235.701
where: short stacking energy: -100.173
Base-Backbone interact. energy: -0.001
local terms energy: -111.611146
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -34.436
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: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -341.344148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.344148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.344148 (E_RNA)
where:
Base-Base interactions energy: -235.306
where: short stacking energy: -95.749
Base-Backbone interact. energy: -0.002
local terms energy: -106.036984
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -32.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -335.313908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.313908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.313908 (E_RNA)
where:
Base-Base interactions energy: -226.480
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.073
local terms energy: -108.760526
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -326.982950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.982950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.982950 (E_RNA)
where:
Base-Base interactions energy: -221.082
where: short stacking energy: -85.677
Base-Backbone interact. energy: -0.521
local terms energy: -105.379676
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -31.117
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: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -334.431250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.431250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.431250 (E_RNA)
where:
Base-Base interactions energy: -224.434
where: short stacking energy: -91.277
Base-Backbone interact. energy: 0.404
local terms energy: -110.400887
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -31.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -112.728567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.728567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.728567 (E_RNA)
where:
Base-Base interactions energy: -54.749
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.267
local terms energy: -57.713294
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -92.707486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.707486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.707486 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -32.895
Base-Backbone interact. energy: -0.448
local terms energy: -54.462630
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -7.601
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: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -112.264989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.264989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.264989 (E_RNA)
where:
Base-Base interactions energy: -48.222
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.035
local terms energy: -64.008167
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -360.045333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.045333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.045333 (E_RNA)
where:
Base-Base interactions energy: -242.944
where: short stacking energy: -98.064
Base-Backbone interact. energy: 0.329
local terms energy: -117.430500
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -35.982
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: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -351.397482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.397482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.397482 (E_RNA)
where:
Base-Base interactions energy: -233.110
where: short stacking energy: -93.660
Base-Backbone interact. energy: -0.157
local terms energy: -118.130687
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -32.603
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: 318
Temperature: 1.000000
Total energy: -353.557468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.557468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.557468 (E_RNA)
where:
Base-Base interactions energy: -245.730
where: short stacking energy: -102.259
Base-Backbone interact. energy: -0.003
local terms energy: -107.824324
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -34.765
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: 318
Temperature: 1.050000
Total energy: -334.288709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.288709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.288709 (E_RNA)
where:
Base-Base interactions energy: -225.027
where: short stacking energy: -82.545
Base-Backbone interact. energy: -0.853
local terms energy: -108.408293
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -29.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -338.861890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.861890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.861890 (E_RNA)
where:
Base-Base interactions energy: -224.401
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.756
local terms energy: -113.704372
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -29.016
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: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -331.258954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.258954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.258954 (E_RNA)
where:
Base-Base interactions energy: -222.556
where: short stacking energy: -85.913
Base-Backbone interact. energy: 1.007
local terms energy: -109.710087
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -333.401512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.401512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.401512 (E_RNA)
where:
Base-Base interactions energy: -228.590
where: short stacking energy: -93.014
Base-Backbone interact. energy: -0.381
local terms energy: -104.430050
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -33.358
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: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -119.837710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.837710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.837710 (E_RNA)
where:
Base-Base interactions energy: -51.532
where: short stacking energy: -37.141
Base-Backbone interact. energy: -0.136
local terms energy: -68.170096
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -14.483
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: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -107.157108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.157108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.157108 (E_RNA)
where:
Base-Base interactions energy: -45.119
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.909
local terms energy: -61.128396
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -89.726939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.726939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.726939 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.396
local terms energy: -58.499339
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -373.463117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.463117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.463117 (E_RNA)
where:
Base-Base interactions energy: -250.407
where: short stacking energy: -108.163
Base-Backbone interact. energy: -0.001
local terms energy: -123.055222
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -35.028
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -350.192598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.192598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.192598 (E_RNA)
where:
Base-Base interactions energy: -237.110
where: short stacking energy: -94.958
Base-Backbone interact. energy: -1.090
local terms energy: -111.993317
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -31.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -348.720650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.720650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.720650 (E_RNA)
where:
Base-Base interactions energy: -238.698
where: short stacking energy: -95.348
Base-Backbone interact. energy: -0.900
local terms energy: -109.122292
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -31.630
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -335.950463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.950463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.950463 (E_RNA)
where:
Base-Base interactions energy: -223.549
where: short stacking energy: -86.534
Base-Backbone interact. energy: -0.421
local terms energy: -111.980734
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -344.809898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.809898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.809898 (E_RNA)
where:
Base-Base interactions energy: -235.896
where: short stacking energy: -96.474
Base-Backbone interact. energy: -0.099
local terms energy: -108.814464
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -33.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -316.731944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.731944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.731944 (E_RNA)
where:
Base-Base interactions energy: -216.714
where: short stacking energy: -88.763
Base-Backbone interact. energy: -0.016
local terms energy: -100.002422
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -327.358939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.358939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.358939 (E_RNA)
where:
Base-Base interactions energy: -219.081
where: short stacking energy: -76.745
Base-Backbone interact. energy: -0.204
local terms energy: -108.074862
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -31.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -109.538999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.538999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.538999 (E_RNA)
where:
Base-Base interactions energy: -46.518
where: short stacking energy: -30.588
Base-Backbone interact. energy: 1.029
local terms energy: -64.049909
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -4.551
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -103.424837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.424837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.424837 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -33.692
Base-Backbone interact. energy: 1.061
local terms energy: -63.707795
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -99.725164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.725164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.725164 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -36.823
Base-Backbone interact. energy: -0.036
local terms energy: -62.866174
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -367.948278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.948278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.948278 (E_RNA)
where:
Base-Base interactions energy: -251.466
where: short stacking energy: -108.401
Base-Backbone interact. energy: -1.054
local terms energy: -115.427942
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -32.721
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -362.792047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.792047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.792047 (E_RNA)
where:
Base-Base interactions energy: -247.446
where: short stacking energy: -105.680
Base-Backbone interact. energy: -0.016
local terms energy: -115.329318
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -36.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -353.298751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.298751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.298751 (E_RNA)
where:
Base-Base interactions energy: -234.740
where: short stacking energy: -95.140
Base-Backbone interact. energy: 0.126
local terms energy: -118.684486
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -32.947
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: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -340.165381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.165381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.165381 (E_RNA)
where:
Base-Base interactions energy: -232.754
where: short stacking energy: -90.645
Base-Backbone interact. energy: -0.047
local terms energy: -107.365058
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -335.862703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.862703 (E_RNA)
where:
Base-Base interactions energy: -227.699
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.012
local terms energy: -108.151320
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -293.027640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.027640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.027640 (E_RNA)
where:
Base-Base interactions energy: -201.130
where: short stacking energy: -74.627
Base-Backbone interact. energy: -0.067
local terms energy: -91.830483
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -320.389994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.389994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.389994 (E_RNA)
where:
Base-Base interactions energy: -223.016
where: short stacking energy: -79.787
Base-Backbone interact. energy: -0.018
local terms energy: -97.355614
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -31.152
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -122.048449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.048449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.048449 (E_RNA)
where:
Base-Base interactions energy: -55.831
where: short stacking energy: -41.499
Base-Backbone interact. energy: -0.174
local terms energy: -66.042681
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -105.778925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.778925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.778925 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.216
local terms energy: -71.340266
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -93.127458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.127458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.127458 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.116
local terms energy: -66.512081
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -3.242
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -363.808481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.808481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.808481 (E_RNA)
where:
Base-Base interactions energy: -249.649
where: short stacking energy: -104.441
Base-Backbone interact. energy: -0.257
local terms energy: -113.902275
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -35.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -355.863463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.863463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.863463 (E_RNA)
where:
Base-Base interactions energy: -251.435
where: short stacking energy: -103.370
Base-Backbone interact. energy: -0.114
local terms energy: -104.314421
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -352.873412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.873412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.873412 (E_RNA)
where:
Base-Base interactions energy: -244.455
where: short stacking energy: -98.461
Base-Backbone interact. energy: -0.004
local terms energy: -108.414054
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -31.226
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: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -341.485423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.485423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.485423 (E_RNA)
where:
Base-Base interactions energy: -229.089
where: short stacking energy: -94.556
Base-Backbone interact. energy: -0.019
local terms energy: -112.377703
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -331.647274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.647274 (E_RNA)
where:
Base-Base interactions energy: -219.006
where: short stacking energy: -84.073
Base-Backbone interact. energy: 0.667
local terms energy: -113.308805
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -31.054
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -321.321179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.321179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.321179 (E_RNA)
where:
Base-Base interactions energy: -225.207
where: short stacking energy: -87.619
Base-Backbone interact. energy: 0.398
local terms energy: -96.512065
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -29.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -305.042622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.042622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.042622 (E_RNA)
where:
Base-Base interactions energy: -207.282
where: short stacking energy: -80.580
Base-Backbone interact. energy: -0.859
local terms energy: -96.901844
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -27.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -131.839323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.839323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.839323 (E_RNA)
where:
Base-Base interactions energy: -45.490
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.227
local terms energy: -86.122491
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -15.175
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: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -109.394341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.394341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.394341 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -27.586
Base-Backbone interact. energy: -1.452
local terms energy: -66.481557
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -98.068146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068146 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -30.529
Base-Backbone interact. energy: 0.126
local terms energy: -58.689679
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: 5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -365.596985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.596985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.596985 (E_RNA)
where:
Base-Base interactions energy: -244.793
where: short stacking energy: -100.418
Base-Backbone interact. energy: -0.001
local terms energy: -120.803596
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -34.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -353.189534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.189534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.189534 (E_RNA)
where:
Base-Base interactions energy: -237.218
where: short stacking energy: -100.920
Base-Backbone interact. energy: 1.020
local terms energy: -116.991333
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -31.695
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: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -355.945311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.945311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.945311 (E_RNA)
where:
Base-Base interactions energy: -243.600
where: short stacking energy: -96.601
Base-Backbone interact. energy: 0.882
local terms energy: -113.227481
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -32.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -346.088188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.088188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.088188 (E_RNA)
where:
Base-Base interactions energy: -240.129
where: short stacking energy: -105.648
Base-Backbone interact. energy: 0.725
local terms energy: -106.684027
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -31.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -334.260942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.260942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.260942 (E_RNA)
where:
Base-Base interactions energy: -225.843
where: short stacking energy: -93.074
Base-Backbone interact. energy: -0.113
local terms energy: -108.305341
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -27.676
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -317.069371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.069371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.069371 (E_RNA)
where:
Base-Base interactions energy: -212.834
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.051
local terms energy: -104.183760
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -26.425
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: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -304.162419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.162419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.162419 (E_RNA)
where:
Base-Base interactions energy: -194.620
where: short stacking energy: -80.140
Base-Backbone interact. energy: 0.635
local terms energy: -110.177685
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -122.979022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.979022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.979022 (E_RNA)
where:
Base-Base interactions energy: -61.269
where: short stacking energy: -22.156
Base-Backbone interact. energy: 2.788
local terms energy: -64.498666
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -12.188
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: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -101.531328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531328 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.638
local terms energy: -70.066122
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -86.616638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.616638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.616638 (E_RNA)
where:
Base-Base interactions energy: -21.583
where: short stacking energy: -18.837
Base-Backbone interact. energy: 0.048
local terms energy: -65.081268
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.648
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: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -369.845418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.845418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.845418 (E_RNA)
where:
Base-Base interactions energy: -252.382
where: short stacking energy: -106.614
Base-Backbone interact. energy: -0.008
local terms energy: -117.455139
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -34.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -360.093639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.093639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.093639 (E_RNA)
where:
Base-Base interactions energy: -246.723
where: short stacking energy: -102.076
Base-Backbone interact. energy: -0.002
local terms energy: -113.369152
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -364.333343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.333343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.333343 (E_RNA)
where:
Base-Base interactions energy: -246.182
where: short stacking energy: -106.795
Base-Backbone interact. energy: -0.077
local terms energy: -118.073752
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -36.463
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -342.728303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.728303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.728303 (E_RNA)
where:
Base-Base interactions energy: -229.817
where: short stacking energy: -96.358
Base-Backbone interact. energy: -0.026
local terms energy: -112.885121
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -324.045503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.045503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.045503 (E_RNA)
where:
Base-Base interactions energy: -224.090
where: short stacking energy: -84.930
Base-Backbone interact. energy: -0.015
local terms energy: -99.940258
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -27.788
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: 323
Temperature: 1.150000
Total energy: -343.098334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.098334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.098334 (E_RNA)
where:
Base-Base interactions energy: -240.133
where: short stacking energy: -92.527
Base-Backbone interact. energy: -0.004
local terms energy: -102.961083
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -31.660
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: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -307.092272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.092272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.092272 (E_RNA)
where:
Base-Base interactions energy: -205.210
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.437
local terms energy: -101.446012
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -26.318
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: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -100.223144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223144 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -31.907
Base-Backbone interact. energy: 0.072
local terms energy: -52.386699
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -7.273
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: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -108.104884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.104884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.104884 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.214
local terms energy: -68.323358
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: 0.210
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: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -97.828840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828840 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -36.119
Base-Backbone interact. energy: 3.320
local terms energy: -63.963633
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -368.446578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.446578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.446578 (E_RNA)
where:
Base-Base interactions energy: -242.048
where: short stacking energy: -105.865
Base-Backbone interact. energy: -0.269
local terms energy: -126.130061
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -36.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -342.331685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.331685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.331685 (E_RNA)
where:
Base-Base interactions energy: -228.491
where: short stacking energy: -96.367
Base-Backbone interact. energy: -0.686
local terms energy: -113.154363
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -345.415263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.415263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.415263 (E_RNA)
where:
Base-Base interactions energy: -230.708
where: short stacking energy: -93.282
Base-Backbone interact. energy: 0.222
local terms energy: -114.929353
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -340.405983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.405983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.405983 (E_RNA)
where:
Base-Base interactions energy: -231.530
where: short stacking energy: -87.161
Base-Backbone interact. energy: -0.042
local terms energy: -108.833325
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -33.143
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: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -349.581216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.581216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.581216 (E_RNA)
where:
Base-Base interactions energy: -242.821
where: short stacking energy: -89.699
Base-Backbone interact. energy: -0.010
local terms energy: -106.750806
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -321.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.565976 (E_RNA)
where:
Base-Base interactions energy: -228.981
where: short stacking energy: -83.017
Base-Backbone interact. energy: -0.137
local terms energy: -92.448344
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -23.770
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -320.809403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.809403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.809403 (E_RNA)
where:
Base-Base interactions energy: -221.176
where: short stacking energy: -84.143
Base-Backbone interact. energy: 1.108
local terms energy: -100.741387
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -110.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.219297 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.489
local terms energy: -57.706525
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: 5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -108.614786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.614786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.614786 (E_RNA)
where:
Base-Base interactions energy: -55.542
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.664
local terms energy: -52.409116
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -96.022096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.022096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.022096 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -21.021
Base-Backbone interact. energy: -1.253
local terms energy: -67.218174
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: 3.196
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: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -362.177132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.177132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.177132 (E_RNA)
where:
Base-Base interactions energy: -244.228
where: short stacking energy: -109.489
Base-Backbone interact. energy: -0.388
local terms energy: -117.561376
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -35.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -352.252798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.252798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.252798 (E_RNA)
where:
Base-Base interactions energy: -236.287
where: short stacking energy: -99.780
Base-Backbone interact. energy: -0.072
local terms energy: -115.894050
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -34.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -348.448247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.448247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.448247 (E_RNA)
where:
Base-Base interactions energy: -248.491
where: short stacking energy: -97.496
Base-Backbone interact. energy: -0.005
local terms energy: -99.951810
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -342.134712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.134712 (E_RNA)
where:
Base-Base interactions energy: -228.797
where: short stacking energy: -90.593
Base-Backbone interact. energy: -0.293
local terms energy: -113.044231
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -28.831
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: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -347.038137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.038137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.038137 (E_RNA)
where:
Base-Base interactions energy: -248.018
where: short stacking energy: -100.232
Base-Backbone interact. energy: -0.009
local terms energy: -99.010473
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -344.579865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.579865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.579865 (E_RNA)
where:
Base-Base interactions energy: -237.508
where: short stacking energy: -97.153
Base-Backbone interact. energy: -0.369
local terms energy: -106.702426
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -313.261044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.261044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.261044 (E_RNA)
where:
Base-Base interactions energy: -212.322
where: short stacking energy: -74.726
Base-Backbone interact. energy: -0.018
local terms energy: -100.920607
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -27.015
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: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -119.416362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.416362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.416362 (E_RNA)
where:
Base-Base interactions energy: -43.127
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.061
local terms energy: -76.228579
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -95.653491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.653491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.653491 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -15.424
Base-Backbone interact. energy: -0.601
local terms energy: -60.835107
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -99.564533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.564533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.564533 (E_RNA)
where:
Base-Base interactions energy: -23.216
where: short stacking energy: -21.207
Base-Backbone interact. energy: -0.216
local terms energy: -76.132551
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -360.060141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.060141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.060141 (E_RNA)
where:
Base-Base interactions energy: -243.439
where: short stacking energy: -98.656
Base-Backbone interact. energy: -0.060
local terms energy: -116.561099
where:
bonds (distance) C4'-P energy: -24.533
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -34.644
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: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -353.180545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.180545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.180545 (E_RNA)
where:
Base-Base interactions energy: -238.069
where: short stacking energy: -95.577
Base-Backbone interact. energy: -0.531
local terms energy: -114.580172
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -32.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -360.664721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.664721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.664721 (E_RNA)
where:
Base-Base interactions energy: -250.670
where: short stacking energy: -95.439
Base-Backbone interact. energy: 1.018
local terms energy: -111.012532
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -23.714
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -336.664674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.664674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.664674 (E_RNA)
where:
Base-Base interactions energy: -232.136
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.016
local terms energy: -104.512965
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -29.130
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: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -339.424858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.424858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.424858 (E_RNA)
where:
Base-Base interactions energy: -236.205
where: short stacking energy: -88.131
Base-Backbone interact. energy: -0.034
local terms energy: -103.185454
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -323.527297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.527297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.527297 (E_RNA)
where:
Base-Base interactions energy: -215.270
where: short stacking energy: -79.982
Base-Backbone interact. energy: -0.365
local terms energy: -107.892127
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -309.431482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.431482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.431482 (E_RNA)
where:
Base-Base interactions energy: -203.646
where: short stacking energy: -76.956
Base-Backbone interact. energy: -0.166
local terms energy: -105.619516
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -122.699424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.699424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.699424 (E_RNA)
where:
Base-Base interactions energy: -53.693
where: short stacking energy: -19.520
Base-Backbone interact. energy: -0.083
local terms energy: -68.923506
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: 2.530
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: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -102.749619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.749619 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -38.894
Base-Backbone interact. energy: -0.255
local terms energy: -60.342822
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -96.640443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.640443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.640443 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.457
local terms energy: -55.585971
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -361.357679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.357679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.357679 (E_RNA)
where:
Base-Base interactions energy: -250.580
where: short stacking energy: -96.414
Base-Backbone interact. energy: -0.037
local terms energy: -110.741376
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -31.406
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -353.290915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.290915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.290915 (E_RNA)
where:
Base-Base interactions energy: -238.603
where: short stacking energy: -94.436
Base-Backbone interact. energy: -0.094
local terms energy: -114.593485
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -32.383
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: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -341.490147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.490147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.490147 (E_RNA)
where:
Base-Base interactions energy: -235.010
where: short stacking energy: -100.778
Base-Backbone interact. energy: -0.001
local terms energy: -106.479042
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -32.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -342.346949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.346949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.346949 (E_RNA)
where:
Base-Base interactions energy: -239.866
where: short stacking energy: -95.836
Base-Backbone interact. energy: -0.489
local terms energy: -101.992359
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -31.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -337.515761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.515761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.515761 (E_RNA)
where:
Base-Base interactions energy: -225.359
where: short stacking energy: -90.440
Base-Backbone interact. energy: -0.031
local terms energy: -112.125918
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -34.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -331.075368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.075368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.075368 (E_RNA)
where:
Base-Base interactions energy: -226.222
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.674
local terms energy: -104.179570
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -292.829755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.829755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.829755 (E_RNA)
where:
Base-Base interactions energy: -204.845
where: short stacking energy: -85.236
Base-Backbone interact. energy: -0.004
local terms energy: -87.980623
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -23.977
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: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -111.264521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.264521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.264521 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -16.469
Base-Backbone interact. energy: -2.228
local terms energy: -68.943900
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -11.590
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: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -92.243831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243831 (E_RNA)
where:
Base-Base interactions energy: -31.515
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.485
local terms energy: -60.244397
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -93.203561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.203561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.203561 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -14.567
Base-Backbone interact. energy: -0.471
local terms energy: -52.697404
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: 6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -364.949631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.949631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.949631 (E_RNA)
where:
Base-Base interactions energy: -258.208
where: short stacking energy: -101.656
Base-Backbone interact. energy: 0.435
local terms energy: -107.176519
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -33.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -364.950096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.950096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.950096 (E_RNA)
where:
Base-Base interactions energy: -247.663
where: short stacking energy: -98.269
Base-Backbone interact. energy: -0.055
local terms energy: -117.232121
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -34.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -361.308696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.308696 (E_RNA)
where:
Base-Base interactions energy: -239.143
where: short stacking energy: -98.713
Base-Backbone interact. energy: -1.063
local terms energy: -121.101761
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -342.659303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.659303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.659303 (E_RNA)
where:
Base-Base interactions energy: -233.836
where: short stacking energy: -94.445
Base-Backbone interact. energy: -0.087
local terms energy: -108.735742
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -29.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -323.826803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.826803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.826803 (E_RNA)
where:
Base-Base interactions energy: -220.125
where: short stacking energy: -83.823
Base-Backbone interact. energy: -0.170
local terms energy: -103.530989
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -330.572886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.572886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.572886 (E_RNA)
where:
Base-Base interactions energy: -223.777
where: short stacking energy: -90.888
Base-Backbone interact. energy: -1.055
local terms energy: -105.741246
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -28.922
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: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -301.477863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.477863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.477863 (E_RNA)
where:
Base-Base interactions energy: -202.567
where: short stacking energy: -76.977
Base-Backbone interact. energy: -0.079
local terms energy: -98.831733
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -121.336689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.336689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.336689 (E_RNA)
where:
Base-Base interactions energy: -55.638
where: short stacking energy: -25.458
Base-Backbone interact. energy: 0.585
local terms energy: -66.283393
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -107.190545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.190545 (E_RNA)
where:
Base-Base interactions energy: -34.656
where: short stacking energy: -22.323
Base-Backbone interact. energy: 0.205
local terms energy: -72.739993
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -13.154
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: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -92.607007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.607007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.607007 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -26.444
Base-Backbone interact. energy: -0.190
local terms energy: -65.140739
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -362.074864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.074864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.074864 (E_RNA)
where:
Base-Base interactions energy: -242.009
where: short stacking energy: -99.683
Base-Backbone interact. energy: -0.035
local terms energy: -120.030356
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -361.280607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.280607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.280607 (E_RNA)
where:
Base-Base interactions energy: -244.314
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.847
local terms energy: -116.118746
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -32.573
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: 329
Temperature: 1.000000
Total energy: -339.575886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.575886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.575886 (E_RNA)
where:
Base-Base interactions energy: -234.946
where: short stacking energy: -92.652
Base-Backbone interact. energy: -1.287
local terms energy: -103.343084
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -30.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -321.429738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.429738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.429738 (E_RNA)
where:
Base-Base interactions energy: -214.640
where: short stacking energy: -88.407
Base-Backbone interact. energy: -0.169
local terms energy: -106.620545
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -26.428
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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -318.819055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.819055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.819055 (E_RNA)
where:
Base-Base interactions energy: -218.227
where: short stacking energy: -87.834
Base-Backbone interact. energy: -0.739
local terms energy: -99.853232
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -30.387
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: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -313.116502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.116502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.116502 (E_RNA)
where:
Base-Base interactions energy: -211.789
where: short stacking energy: -87.624
Base-Backbone interact. energy: -0.504
local terms energy: -100.824189
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -27.953
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: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -311.304181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.304181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.304181 (E_RNA)
where:
Base-Base interactions energy: -209.758
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.031
local terms energy: -101.515121
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -125.682129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.682129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.682129 (E_RNA)
where:
Base-Base interactions energy: -58.244
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.789
local terms energy: -66.649451
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -3.276
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: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -97.592929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.592929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.592929 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -22.834
Base-Backbone interact. energy: -0.310
local terms energy: -71.180537
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -16.002
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: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -101.283578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.283578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.283578 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -31.137
Base-Backbone interact. energy: 1.488
local terms energy: -66.146215
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: 3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -362.201362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.201362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.201362 (E_RNA)
where:
Base-Base interactions energy: -251.136
where: short stacking energy: -107.988
Base-Backbone interact. energy: -0.052
local terms energy: -111.013378
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -360.252193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.252193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.252193 (E_RNA)
where:
Base-Base interactions energy: -246.511
where: short stacking energy: -101.753
Base-Backbone interact. energy: -0.364
local terms energy: -113.377620
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -333.503220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.503220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.503220 (E_RNA)
where:
Base-Base interactions energy: -224.841
where: short stacking energy: -89.751
Base-Backbone interact. energy: -0.011
local terms energy: -108.651385
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -28.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -346.278787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.278787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.278787 (E_RNA)
where:
Base-Base interactions energy: -227.609
where: short stacking energy: -94.098
Base-Backbone interact. energy: -0.013
local terms energy: -118.657053
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -34.855
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: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -318.832178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.832178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.832178 (E_RNA)
where:
Base-Base interactions energy: -213.490
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.051
local terms energy: -105.290461
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -330.952251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.952251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.952251 (E_RNA)
where:
Base-Base interactions energy: -228.124
where: short stacking energy: -92.862
Base-Backbone interact. energy: -0.053
local terms energy: -102.775534
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -32.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -317.595661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.595661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.595661 (E_RNA)
where:
Base-Base interactions energy: -220.559
where: short stacking energy: -83.137
Base-Backbone interact. energy: -0.098
local terms energy: -96.938973
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -131.974103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.974103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.974103 (E_RNA)
where:
Base-Base interactions energy: -59.959
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.107
local terms energy: -71.908113
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -105.629381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.629381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.629381 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.878
local terms energy: -65.068344
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -101.272726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.272726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.272726 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -20.650
Base-Backbone interact. energy: 0.414
local terms energy: -74.384985
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -12.371
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: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -361.949988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.949988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.949988 (E_RNA)
where:
Base-Base interactions energy: -247.925
where: short stacking energy: -105.840
Base-Backbone interact. energy: 0.644
local terms energy: -114.668611
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -34.357
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: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -357.664940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.664940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.664940 (E_RNA)
where:
Base-Base interactions energy: -235.770
where: short stacking energy: -99.583
Base-Backbone interact. energy: -0.611
local terms energy: -121.284654
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -32.856
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: 331
Temperature: 1.000000
Total energy: -347.815885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.815885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.815885 (E_RNA)
where:
Base-Base interactions energy: -224.995
where: short stacking energy: -90.229
Base-Backbone interact. energy: -0.350
local terms energy: -122.471116
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -32.752
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -344.994698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.994698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.994698 (E_RNA)
where:
Base-Base interactions energy: -238.329
where: short stacking energy: -95.130
Base-Backbone interact. energy: -0.080
local terms energy: -106.585802
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -306.400756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.400756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.400756 (E_RNA)
where:
Base-Base interactions energy: -209.861
where: short stacking energy: -87.994
Base-Backbone interact. energy: 1.431
local terms energy: -97.971023
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -323.456419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.456419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.456419 (E_RNA)
where:
Base-Base interactions energy: -222.349
where: short stacking energy: -86.756
Base-Backbone interact. energy: -0.009
local terms energy: -101.098473
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -27.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -308.832066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.832066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.832066 (E_RNA)
where:
Base-Base interactions energy: -200.810
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.162
local terms energy: -107.859728
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -120.649426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.649426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.649426 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -41.628
Base-Backbone interact. energy: 0.117
local terms energy: -78.758195
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -5.356
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -108.552558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.552558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.552558 (E_RNA)
where:
Base-Base interactions energy: -35.478
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.585
local terms energy: -72.489566
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -13.169
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: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -97.070950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070950 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -21.494
Base-Backbone interact. energy: -0.563
local terms energy: -65.733915
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -361.884853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.884853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.884853 (E_RNA)
where:
Base-Base interactions energy: -243.483
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.404
local terms energy: -117.997746
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -32.688
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: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -357.329601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.329601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.329601 (E_RNA)
where:
Base-Base interactions energy: -235.069
where: short stacking energy: -95.698
Base-Backbone interact. energy: -0.001
local terms energy: -122.259592
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -348.795899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.795899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.795899 (E_RNA)
where:
Base-Base interactions energy: -240.707
where: short stacking energy: -96.286
Base-Backbone interact. energy: -0.066
local terms energy: -108.023209
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -29.569
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: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -334.702353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.702353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.702353 (E_RNA)
where:
Base-Base interactions energy: -222.718
where: short stacking energy: -94.227
Base-Backbone interact. energy: -0.034
local terms energy: -111.950157
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -333.342140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.342140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.342140 (E_RNA)
where:
Base-Base interactions energy: -230.057
where: short stacking energy: -90.924
Base-Backbone interact. energy: 1.884
local terms energy: -105.169488
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -27.694
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: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -308.451315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.451315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.451315 (E_RNA)
where:
Base-Base interactions energy: -205.305
where: short stacking energy: -88.994
Base-Backbone interact. energy: 0.304
local terms energy: -103.449879
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -28.402
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: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -310.687235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.687235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.687235 (E_RNA)
where:
Base-Base interactions energy: -208.026
where: short stacking energy: -77.761
Base-Backbone interact. energy: -0.067
local terms energy: -102.593342
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -26.262
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: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -105.694139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.694139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.694139 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.524
local terms energy: -68.474053
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -100.302685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.302685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.302685 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.048
local terms energy: -66.871122
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -9.777
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: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -119.516158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.516158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.516158 (E_RNA)
where:
Base-Base interactions energy: -50.267
where: short stacking energy: -26.423
Base-Backbone interact. energy: 0.185
local terms energy: -69.433762
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -366.556818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.556818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.556818 (E_RNA)
where:
Base-Base interactions energy: -245.077
where: short stacking energy: -101.751
Base-Backbone interact. energy: -0.127
local terms energy: -121.352538
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -25.188
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -35.804
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -356.799492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.799492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.799492 (E_RNA)
where:
Base-Base interactions energy: -241.899
where: short stacking energy: -97.783
Base-Backbone interact. energy: -0.094
local terms energy: -114.805813
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -30.027
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: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -356.927607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.927607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.927607 (E_RNA)
where:
Base-Base interactions energy: -235.825
where: short stacking energy: -96.885
Base-Backbone interact. energy: -0.252
local terms energy: -120.850783
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -33.147
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -351.717919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.717919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.717919 (E_RNA)
where:
Base-Base interactions energy: -248.391
where: short stacking energy: -97.766
Base-Backbone interact. energy: -0.110
local terms energy: -103.216821
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -316.619248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.619248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.619248 (E_RNA)
where:
Base-Base interactions energy: -219.674
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.066
local terms energy: -96.879341
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -301.337525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.337525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.337525 (E_RNA)
where:
Base-Base interactions energy: -210.670
where: short stacking energy: -79.398
Base-Backbone interact. energy: -0.453
local terms energy: -90.214422
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -297.483454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.483454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.483454 (E_RNA)
where:
Base-Base interactions energy: -193.825
where: short stacking energy: -75.812
Base-Backbone interact. energy: -0.001
local terms energy: -103.657107
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -31.021
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: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -103.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255786 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.231
local terms energy: -66.951962
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.923
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: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -101.920930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.920930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.920930 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -21.156
Base-Backbone interact. energy: -0.387
local terms energy: -65.599211
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -101.388586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.388586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.388586 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -17.327
Base-Backbone interact. energy: -1.045
local terms energy: -61.272559
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -361.816204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.816204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.816204 (E_RNA)
where:
Base-Base interactions energy: -248.848
where: short stacking energy: -105.930
Base-Backbone interact. energy: 0.712
local terms energy: -113.679895
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -33.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -354.967544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.967544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.967544 (E_RNA)
where:
Base-Base interactions energy: -242.254
where: short stacking energy: -97.349
Base-Backbone interact. energy: -0.024
local terms energy: -112.690256
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -337.381642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.381642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.381642 (E_RNA)
where:
Base-Base interactions energy: -226.173
where: short stacking energy: -89.475
Base-Backbone interact. energy: -0.101
local terms energy: -111.107613
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -29.725
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: 334
Temperature: 1.050000
Total energy: -360.305353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.305353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.305353 (E_RNA)
where:
Base-Base interactions energy: -250.351
where: short stacking energy: -107.142
Base-Backbone interact. energy: -0.018
local terms energy: -109.936156
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -32.978
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: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -331.783841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.783841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.783841 (E_RNA)
where:
Base-Base interactions energy: -225.837
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.093
local terms energy: -105.853896
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -28.050
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: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -310.375778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.375778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.375778 (E_RNA)
where:
Base-Base interactions energy: -201.716
where: short stacking energy: -78.325
Base-Backbone interact. energy: 0.165
local terms energy: -108.824408
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -289.379264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.379264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.379264 (E_RNA)
where:
Base-Base interactions energy: -194.539
where: short stacking energy: -81.732
Base-Backbone interact. energy: -0.018
local terms energy: -94.821830
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -26.104
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: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -112.589852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.589852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.589852 (E_RNA)
where:
Base-Base interactions energy: -43.832
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.217
local terms energy: -68.541070
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -9.459
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -114.849122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.849122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.849122 (E_RNA)
where:
Base-Base interactions energy: -56.437
where: short stacking energy: -28.377
Base-Backbone interact. energy: -0.434
local terms energy: -57.978053
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -13.560
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: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -96.794783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.794783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.794783 (E_RNA)
where:
Base-Base interactions energy: -34.739
where: short stacking energy: -29.587
Base-Backbone interact. energy: -0.237
local terms energy: -61.818492
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -14.229
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: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -360.446008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.446008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.446008 (E_RNA)
where:
Base-Base interactions energy: -248.104
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.447
local terms energy: -111.894480
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -33.170
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -360.025528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.025528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.025528 (E_RNA)
where:
Base-Base interactions energy: -241.095
where: short stacking energy: -98.664
Base-Backbone interact. energy: -0.091
local terms energy: -118.839513
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -31.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -351.420976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.420976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.420976 (E_RNA)
where:
Base-Base interactions energy: -228.815
where: short stacking energy: -96.783
Base-Backbone interact. energy: -0.355
local terms energy: -122.250778
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -33.425
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: 335
Temperature: 1.050000
Total energy: -341.634162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.634162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.634162 (E_RNA)
where:
Base-Base interactions energy: -240.155
where: short stacking energy: -96.292
Base-Backbone interact. energy: -0.001
local terms energy: -101.478397
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -31.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -344.058514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.058514 (E_RNA)
where:
Base-Base interactions energy: -235.679
where: short stacking energy: -100.217
Base-Backbone interact. energy: -0.147
local terms energy: -108.231864
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -30.778
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: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -299.601718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.601718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.601718 (E_RNA)
where:
Base-Base interactions energy: -207.762
where: short stacking energy: -81.130
Base-Backbone interact. energy: -2.099
local terms energy: -89.740871
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -24.884
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: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -304.002813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.002813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.002813 (E_RNA)
where:
Base-Base interactions energy: -197.726
where: short stacking energy: -71.208
Base-Backbone interact. energy: -2.229
local terms energy: -104.047434
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -123.898302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.898302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.898302 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -27.546
Base-Backbone interact. energy: -1.342
local terms energy: -84.154977
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -112.314622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.314622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.314622 (E_RNA)
where:
Base-Base interactions energy: -44.890
where: short stacking energy: -32.876
Base-Backbone interact. energy: 0.855
local terms energy: -68.279383
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -91.010951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010951 (E_RNA)
where:
Base-Base interactions energy: -19.412
where: short stacking energy: -17.172
Base-Backbone interact. energy: 0.542
local terms energy: -72.141090
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.185
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: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -365.178064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.178064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.178064 (E_RNA)
where:
Base-Base interactions energy: -247.339
where: short stacking energy: -103.056
Base-Backbone interact. energy: -0.008
local terms energy: -117.831257
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -361.978735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.978735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.978735 (E_RNA)
where:
Base-Base interactions energy: -249.065
where: short stacking energy: -104.962
Base-Backbone interact. energy: -0.002
local terms energy: -112.911984
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -33.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -328.899139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.899139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.899139 (E_RNA)
where:
Base-Base interactions energy: -225.303
where: short stacking energy: -93.319
Base-Backbone interact. energy: -0.009
local terms energy: -103.587608
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -28.754
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: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -348.651772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.651772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.651772 (E_RNA)
where:
Base-Base interactions energy: -236.833
where: short stacking energy: -99.622
Base-Backbone interact. energy: -0.658
local terms energy: -111.161310
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -31.995
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: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -337.333209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.333209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.333209 (E_RNA)
where:
Base-Base interactions energy: -223.868
where: short stacking energy: -88.022
Base-Backbone interact. energy: -0.014
local terms energy: -113.451596
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -33.534
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: 336
Temperature: 1.150000
Total energy: -323.031349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.031349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.031349 (E_RNA)
where:
Base-Base interactions energy: -223.887
where: short stacking energy: -88.587
Base-Backbone interact. energy: -0.021
local terms energy: -99.123340
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -297.890608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.890608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.890608 (E_RNA)
where:
Base-Base interactions energy: -197.751
where: short stacking energy: -78.743
Base-Backbone interact. energy: -0.314
local terms energy: -99.826005
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -30.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -127.111388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.111388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.111388 (E_RNA)
where:
Base-Base interactions energy: -61.779
where: short stacking energy: -30.781
Base-Backbone interact. energy: 0.804
local terms energy: -66.136221
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -116.400864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.400864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.400864 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.361
local terms energy: -70.424621
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.972
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -99.204410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.204410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.204410 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.933
local terms energy: -65.686075
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -374.547788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.547788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.547788 (E_RNA)
where:
Base-Base interactions energy: -253.078
where: short stacking energy: -109.651
Base-Backbone interact. energy: -0.002
local terms energy: -121.467832
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -35.464
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: 337
Temperature: 0.950000
Total energy: -356.007082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.007082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.007082 (E_RNA)
where:
Base-Base interactions energy: -247.375
where: short stacking energy: -104.858
Base-Backbone interact. energy: -0.533
local terms energy: -108.099262
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -32.752
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -325.554898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.554898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.554898 (E_RNA)
where:
Base-Base interactions energy: -216.505
where: short stacking energy: -88.617
Base-Backbone interact. energy: -0.642
local terms energy: -108.408328
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -343.908549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.908549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.908549 (E_RNA)
where:
Base-Base interactions energy: -233.314
where: short stacking energy: -91.549
Base-Backbone interact. energy: -0.020
local terms energy: -110.574757
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -346.610075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.610075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.610075 (E_RNA)
where:
Base-Base interactions energy: -235.280
where: short stacking energy: -101.351
Base-Backbone interact. energy: -0.027
local terms energy: -111.303257
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -33.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -321.307321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.307321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.307321 (E_RNA)
where:
Base-Base interactions energy: -221.271
where: short stacking energy: -86.260
Base-Backbone interact. energy: -0.119
local terms energy: -99.917992
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -299.808647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.808647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.808647 (E_RNA)
where:
Base-Base interactions energy: -209.177
where: short stacking energy: -81.268
Base-Backbone interact. energy: -0.023
local terms energy: -90.608617
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -113.076624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.076624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.076624 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -33.551
Base-Backbone interact. energy: 2.605
local terms energy: -77.275020
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -110.821895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.821895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.821895 (E_RNA)
where:
Base-Base interactions energy: -44.178
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.785
local terms energy: -65.858859
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -107.314495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.314495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.314495 (E_RNA)
where:
Base-Base interactions energy: -49.614
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.352
local terms energy: -57.348750
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -6.276
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: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -354.711548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.711548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.711548 (E_RNA)
where:
Base-Base interactions energy: -229.972
where: short stacking energy: -93.661
Base-Backbone interact. energy: -0.029
local terms energy: -124.709871
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -34.450
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -352.397417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.397417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.397417 (E_RNA)
where:
Base-Base interactions energy: -239.724
where: short stacking energy: -97.581
Base-Backbone interact. energy: -0.018
local terms energy: -112.656181
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -33.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -348.568978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.568978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.568978 (E_RNA)
where:
Base-Base interactions energy: -239.169
where: short stacking energy: -96.304
Base-Backbone interact. energy: -0.114
local terms energy: -109.286062
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -30.753
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: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -348.072972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.072972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.072972 (E_RNA)
where:
Base-Base interactions energy: -236.518
where: short stacking energy: -91.200
Base-Backbone interact. energy: -0.106
local terms energy: -111.449404
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -28.769
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -300.831386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.831386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.831386 (E_RNA)
where:
Base-Base interactions energy: -200.677
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.256
local terms energy: -99.898935
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -25.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -320.598607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.598607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.598607 (E_RNA)
where:
Base-Base interactions energy: -216.854
where: short stacking energy: -85.204
Base-Backbone interact. energy: -0.115
local terms energy: -103.629642
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -28.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -318.768685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.768685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.768685 (E_RNA)
where:
Base-Base interactions energy: -212.688
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.204
local terms energy: -105.876858
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -116.979062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.979062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.979062 (E_RNA)
where:
Base-Base interactions energy: -46.381
where: short stacking energy: -30.746
Base-Backbone interact. energy: 0.730
local terms energy: -71.328499
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -106.111296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.111296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.111296 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -21.317
Base-Backbone interact. energy: -0.564
local terms energy: -73.288568
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -103.555347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.555347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.555347 (E_RNA)
where:
Base-Base interactions energy: -34.738
where: short stacking energy: -33.640
Base-Backbone interact. energy: -0.365
local terms energy: -68.452466
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.699
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: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -363.115822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.115822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.115822 (E_RNA)
where:
Base-Base interactions energy: -248.370
where: short stacking energy: -102.970
Base-Backbone interact. energy: -0.006
local terms energy: -114.739066
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -35.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -339.917138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.917138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.917138 (E_RNA)
where:
Base-Base interactions energy: -225.829
where: short stacking energy: -102.120
Base-Backbone interact. energy: -0.005
local terms energy: -114.083009
where:
bonds (distance) C4'-P energy: -23.064
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -30.554
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: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -343.219041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.219041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.219041 (E_RNA)
where:
Base-Base interactions energy: -230.793
where: short stacking energy: -89.103
Base-Backbone interact. energy: 1.022
local terms energy: -113.447467
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -29.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -352.848546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.848546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.848546 (E_RNA)
where:
Base-Base interactions energy: -229.286
where: short stacking energy: -97.170
Base-Backbone interact. energy: -0.516
local terms energy: -123.047497
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -36.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -341.296615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.296615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.296615 (E_RNA)
where:
Base-Base interactions energy: -231.301
where: short stacking energy: -96.942
Base-Backbone interact. energy: -0.077
local terms energy: -109.918502
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -30.003
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -315.865944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.865944 (E_RNA)
where:
Base-Base interactions energy: -213.269
where: short stacking energy: -87.287
Base-Backbone interact. energy: -0.225
local terms energy: -102.371561
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -313.940187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.940187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.940187 (E_RNA)
where:
Base-Base interactions energy: -202.255
where: short stacking energy: -77.394
Base-Backbone interact. energy: -0.060
local terms energy: -111.625045
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -30.147
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: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -106.997057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.997057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.997057 (E_RNA)
where:
Base-Base interactions energy: -48.477
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.424
local terms energy: -58.096439
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -108.408566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.408566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.408566 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -22.279
Base-Backbone interact. energy: -1.159
local terms energy: -65.340569
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: 5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -98.116787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.116787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.116787 (E_RNA)
where:
Base-Base interactions energy: -46.417
where: short stacking energy: -34.071
Base-Backbone interact. energy: 0.128
local terms energy: -51.827458
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: 1.650
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -364.114232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.114232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.114232 (E_RNA)
where:
Base-Base interactions energy: -250.555
where: short stacking energy: -99.076
Base-Backbone interact. energy: -0.184
local terms energy: -113.375237
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -33.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -355.794054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.794054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.794054 (E_RNA)
where:
Base-Base interactions energy: -240.377
where: short stacking energy: -88.476
Base-Backbone interact. energy: -0.498
local terms energy: -114.918738
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -34.533
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: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -347.321315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.321315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.321315 (E_RNA)
where:
Base-Base interactions energy: -236.859
where: short stacking energy: -90.084
Base-Backbone interact. energy: -0.137
local terms energy: -110.325139
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -28.163
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: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -337.292006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.292006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.292006 (E_RNA)
where:
Base-Base interactions energy: -228.446
where: short stacking energy: -82.102
Base-Backbone interact. energy: -0.087
local terms energy: -108.759453
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -30.743
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: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -332.889772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.889772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.889772 (E_RNA)
where:
Base-Base interactions energy: -220.490
where: short stacking energy: -86.673
Base-Backbone interact. energy: -0.086
local terms energy: -112.314056
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -316.556782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.556782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.556782 (E_RNA)
where:
Base-Base interactions energy: -217.210
where: short stacking energy: -84.564
Base-Backbone interact. energy: -0.040
local terms energy: -99.306960
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -29.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -322.364869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.364869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.364869 (E_RNA)
where:
Base-Base interactions energy: -231.266
where: short stacking energy: -84.253
Base-Backbone interact. energy: -0.187
local terms energy: -90.911758
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -108.185819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.185819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.185819 (E_RNA)
where:
Base-Base interactions energy: -40.978
where: short stacking energy: -33.343
Base-Backbone interact. energy: -0.107
local terms energy: -67.100831
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -100.958735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.958735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.958735 (E_RNA)
where:
Base-Base interactions energy: -32.297
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.280
local terms energy: -68.382073
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: 0.201
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: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -100.672270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672270 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.984
local terms energy: -54.024910
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: 4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -369.315406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.315406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.315406 (E_RNA)
where:
Base-Base interactions energy: -245.909
where: short stacking energy: -97.324
Base-Backbone interact. energy: -0.569
local terms energy: -122.836618
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -31.009
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: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -361.526683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.526683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.526683 (E_RNA)
where:
Base-Base interactions energy: -257.755
where: short stacking energy: -104.471
Base-Backbone interact. energy: -0.026
local terms energy: -103.744978
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -33.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -355.137762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.137762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.137762 (E_RNA)
where:
Base-Base interactions energy: -246.685
where: short stacking energy: -100.877
Base-Backbone interact. energy: -0.006
local terms energy: -108.446171
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -32.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -345.428767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.428767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.428767 (E_RNA)
where:
Base-Base interactions energy: -230.999
where: short stacking energy: -90.092
Base-Backbone interact. energy: -0.645
local terms energy: -113.784608
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -35.648
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: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -334.613119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.613119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.613119 (E_RNA)
where:
Base-Base interactions energy: -235.486
where: short stacking energy: -96.890
Base-Backbone interact. energy: -0.018
local terms energy: -99.109198
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -32.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -324.162683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.162683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.162683 (E_RNA)
where:
Base-Base interactions energy: -216.097
where: short stacking energy: -84.575
Base-Backbone interact. energy: 0.067
local terms energy: -108.132846
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -31.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -322.944944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.944944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.944944 (E_RNA)
where:
Base-Base interactions energy: -223.773
where: short stacking energy: -86.098
Base-Backbone interact. energy: -0.012
local terms energy: -99.160458
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -110.361057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.361057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.361057 (E_RNA)
where:
Base-Base interactions energy: -42.348
where: short stacking energy: -39.693
Base-Backbone interact. energy: -0.118
local terms energy: -67.895642
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -128.476837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.476837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.476837 (E_RNA)
where:
Base-Base interactions energy: -51.867
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.705
local terms energy: -75.904312
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -102.908201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.908201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.908201 (E_RNA)
where:
Base-Base interactions energy: -27.248
where: short stacking energy: -23.803
Base-Backbone interact. energy: -1.410
local terms energy: -74.249232
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -14.960
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: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -379.827609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.827609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.827609 (E_RNA)
where:
Base-Base interactions energy: -267.083
where: short stacking energy: -111.379
Base-Backbone interact. energy: -0.060
local terms energy: -112.684507
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -34.453
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -347.738030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.738030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.738030 (E_RNA)
where:
Base-Base interactions energy: -233.913
where: short stacking energy: -90.075
Base-Backbone interact. energy: -0.262
local terms energy: -113.562945
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -356.096121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.096121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.096121 (E_RNA)
where:
Base-Base interactions energy: -238.789
where: short stacking energy: -98.544
Base-Backbone interact. energy: -0.091
local terms energy: -117.216115
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -34.976
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: 342
Temperature: 1.050000
Total energy: -325.500351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.500351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.500351 (E_RNA)
where:
Base-Base interactions energy: -223.012
where: short stacking energy: -86.295
Base-Backbone interact. energy: -0.105
local terms energy: -102.383408
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -328.592461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.592461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.592461 (E_RNA)
where:
Base-Base interactions energy: -222.947
where: short stacking energy: -92.178
Base-Backbone interact. energy: 3.227
local terms energy: -108.872279
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -31.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -334.840083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.840083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.840083 (E_RNA)
where:
Base-Base interactions energy: -237.154
where: short stacking energy: -98.625
Base-Backbone interact. energy: 0.521
local terms energy: -98.206405
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -324.568274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.568274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.568274 (E_RNA)
where:
Base-Base interactions energy: -216.606
where: short stacking energy: -86.670
Base-Backbone interact. energy: -0.399
local terms energy: -107.563457
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -28.710
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: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -107.838333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.838333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.838333 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.465
local terms energy: -79.971832
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -108.746527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.746527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.746527 (E_RNA)
where:
Base-Base interactions energy: -42.664
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.252
local terms energy: -65.830282
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -103.057106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.057106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.057106 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.598
local terms energy: -70.828518
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -376.499742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.499742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.499742 (E_RNA)
where:
Base-Base interactions energy: -265.199
where: short stacking energy: -104.560
Base-Backbone interact. energy: -0.013
local terms energy: -111.287549
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -35.132
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: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -355.981063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.981063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.981063 (E_RNA)
where:
Base-Base interactions energy: -244.656
where: short stacking energy: -98.187
Base-Backbone interact. energy: -0.009
local terms energy: -111.315211
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -32.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -354.061755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.061755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.061755 (E_RNA)
where:
Base-Base interactions energy: -244.376
where: short stacking energy: -96.825
Base-Backbone interact. energy: -0.002
local terms energy: -109.684103
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -34.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -352.411432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.411432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.411432 (E_RNA)
where:
Base-Base interactions energy: -238.043
where: short stacking energy: -98.835
Base-Backbone interact. energy: -0.450
local terms energy: -113.918998
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -34.686
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: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -342.989388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.989388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.989388 (E_RNA)
where:
Base-Base interactions energy: -231.684
where: short stacking energy: -95.911
Base-Backbone interact. energy: -0.057
local terms energy: -111.248885
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -31.115
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: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -329.976950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.976950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.976950 (E_RNA)
where:
Base-Base interactions energy: -233.319
where: short stacking energy: -96.010
Base-Backbone interact. energy: -0.031
local terms energy: -96.627161
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -30.074
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: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -292.713123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.713123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.713123 (E_RNA)
where:
Base-Base interactions energy: -204.347
where: short stacking energy: -78.170
Base-Backbone interact. energy: -0.856
local terms energy: -87.510907
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -105.586464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.586464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.586464 (E_RNA)
where:
Base-Base interactions energy: -41.603
where: short stacking energy: -27.660
Base-Backbone interact. energy: -0.233
local terms energy: -63.750384
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -7.794
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: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -97.865019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.865019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.865019 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.616
local terms energy: -63.863419
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -7.604
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: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -97.859911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.859911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.859911 (E_RNA)
where:
Base-Base interactions energy: -25.668
where: short stacking energy: -20.769
Base-Backbone interact. energy: -0.727
local terms energy: -71.464631
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -374.779321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.779321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.779321 (E_RNA)
where:
Base-Base interactions energy: -260.617
where: short stacking energy: -106.927
Base-Backbone interact. energy: -0.012
local terms energy: -114.150407
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -33.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -359.468296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.468296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.468296 (E_RNA)
where:
Base-Base interactions energy: -246.065
where: short stacking energy: -108.007
Base-Backbone interact. energy: -0.001
local terms energy: -113.402559
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -36.021
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: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -348.415365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.415365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415365 (E_RNA)
where:
Base-Base interactions energy: -234.951
where: short stacking energy: -101.550
Base-Backbone interact. energy: -0.671
local terms energy: -112.793319
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -28.146
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -354.944674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.944674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.944674 (E_RNA)
where:
Base-Base interactions energy: -236.696
where: short stacking energy: -92.760
Base-Backbone interact. energy: -0.240
local terms energy: -118.009066
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -33.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -343.203167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.203167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.203167 (E_RNA)
where:
Base-Base interactions energy: -236.476
where: short stacking energy: -102.228
Base-Backbone interact. energy: -0.013
local terms energy: -106.713716
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -32.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -331.726855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.726855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.726855 (E_RNA)
where:
Base-Base interactions energy: -228.841
where: short stacking energy: -87.733
Base-Backbone interact. energy: -0.003
local terms energy: -102.882592
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -314.323740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.323740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.323740 (E_RNA)
where:
Base-Base interactions energy: -215.043
where: short stacking energy: -88.509
Base-Backbone interact. energy: 0.368
local terms energy: -99.649422
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -29.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -103.311607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311607 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.637
local terms energy: -63.328663
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: 1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -120.483367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.483367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.483367 (E_RNA)
where:
Base-Base interactions energy: -58.765
where: short stacking energy: -23.714
Base-Backbone interact. energy: -0.512
local terms energy: -61.206707
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -1.332
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: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -88.917519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.917519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.917519 (E_RNA)
where:
Base-Base interactions energy: -36.361
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.812
local terms energy: -51.743945
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -373.315362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.315362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.315362 (E_RNA)
where:
Base-Base interactions energy: -260.447
where: short stacking energy: -105.458
Base-Backbone interact. energy: -0.049
local terms energy: -112.819587
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -32.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -363.401184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.401184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.401184 (E_RNA)
where:
Base-Base interactions energy: -251.132
where: short stacking energy: -104.415
Base-Backbone interact. energy: -1.230
local terms energy: -111.039100
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -35.309
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: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -350.592202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.592202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.592202 (E_RNA)
where:
Base-Base interactions energy: -234.736
where: short stacking energy: -92.699
Base-Backbone interact. energy: 2.420
local terms energy: -118.276576
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -32.324
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: 345
Temperature: 1.050000
Total energy: -337.292320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.292320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.292320 (E_RNA)
where:
Base-Base interactions energy: -226.950
where: short stacking energy: -86.432
Base-Backbone interact. energy: -0.101
local terms energy: -110.241435
where:
bonds (distance) C4'-P energy: -26.111
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -27.564
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -348.584941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.584941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.584941 (E_RNA)
where:
Base-Base interactions energy: -238.612
where: short stacking energy: -94.874
Base-Backbone interact. energy: 0.743
local terms energy: -110.715803
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -335.985406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.985406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.985406 (E_RNA)
where:
Base-Base interactions energy: -230.864
where: short stacking energy: -96.000
Base-Backbone interact. energy: -0.006
local terms energy: -105.114848
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -31.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -305.604341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.604341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.604341 (E_RNA)
where:
Base-Base interactions energy: -199.859
where: short stacking energy: -78.457
Base-Backbone interact. energy: -0.007
local terms energy: -105.737943
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -27.002
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: 345
Temperature: 1.250000
Total energy: -109.028076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.028076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.028076 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -26.749
Base-Backbone interact. energy: -1.080
local terms energy: -75.906852
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -13.741
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: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -116.515621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.515621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.515621 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -27.017
Base-Backbone interact. energy: -0.749
local terms energy: -72.615181
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -14.912
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: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -105.940199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.940199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.940199 (E_RNA)
where:
Base-Base interactions energy: -40.279
where: short stacking energy: -16.809
Base-Backbone interact. energy: -1.978
local terms energy: -63.682712
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: 7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -359.759092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.759092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.759092 (E_RNA)
where:
Base-Base interactions energy: -244.020
where: short stacking energy: -103.478
Base-Backbone interact. energy: -0.040
local terms energy: -115.699091
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -364.261790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.261790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.261790 (E_RNA)
where:
Base-Base interactions energy: -257.808
where: short stacking energy: -101.116
Base-Backbone interact. energy: -0.010
local terms energy: -106.443502
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -23.996
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -29.892
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: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -336.994603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.994603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.994603 (E_RNA)
where:
Base-Base interactions energy: -228.153
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.082
local terms energy: -108.759817
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -345.724475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.724475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.724475 (E_RNA)
where:
Base-Base interactions energy: -236.728
where: short stacking energy: -93.020
Base-Backbone interact. energy: -1.059
local terms energy: -107.937552
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -333.807681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.807681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.807681 (E_RNA)
where:
Base-Base interactions energy: -220.323
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.001
local terms energy: -113.482987
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -329.293589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.293589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.293589 (E_RNA)
where:
Base-Base interactions energy: -224.012
where: short stacking energy: -82.536
Base-Backbone interact. energy: -0.058
local terms energy: -105.223051
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -29.839
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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -292.895973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.895973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.895973 (E_RNA)
where:
Base-Base interactions energy: -188.798
where: short stacking energy: -81.694
Base-Backbone interact. energy: -0.033
local terms energy: -104.064735
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -25.244
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: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -147.931907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.931907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.931907 (E_RNA)
where:
Base-Base interactions energy: -79.204
where: short stacking energy: -33.825
Base-Backbone interact. energy: -0.641
local terms energy: -68.087291
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.003
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: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -99.126129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.126129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.126129 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -18.178
Base-Backbone interact. energy: -0.855
local terms energy: -61.457362
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: 4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -101.375226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.375226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.375226 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.158
local terms energy: -52.326541
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -354.469088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.469088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.469088 (E_RNA)
where:
Base-Base interactions energy: -239.804
where: short stacking energy: -104.001
Base-Backbone interact. energy: -0.098
local terms energy: -114.567094
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -32.846
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: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -348.497351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.497351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.497351 (E_RNA)
where:
Base-Base interactions energy: -233.849
where: short stacking energy: -99.769
Base-Backbone interact. energy: -0.003
local terms energy: -114.645945
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -31.154
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: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -342.856666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.856666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.856666 (E_RNA)
where:
Base-Base interactions energy: -232.722
where: short stacking energy: -91.930
Base-Backbone interact. energy: -0.003
local terms energy: -110.131418
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -31.524
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: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -339.555349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.555349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.555349 (E_RNA)
where:
Base-Base interactions energy: -224.542
where: short stacking energy: -100.209
Base-Backbone interact. energy: -0.052
local terms energy: -114.961891
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -327.857549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.857549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.857549 (E_RNA)
where:
Base-Base interactions energy: -216.369
where: short stacking energy: -81.733
Base-Backbone interact. energy: -0.033
local terms energy: -111.455968
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -305.099873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.099873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.099873 (E_RNA)
where:
Base-Base interactions energy: -198.448
where: short stacking energy: -90.502
Base-Backbone interact. energy: 0.800
local terms energy: -107.451437
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -306.965939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.965939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.965939 (E_RNA)
where:
Base-Base interactions energy: -211.684
where: short stacking energy: -82.368
Base-Backbone interact. energy: -0.035
local terms energy: -95.246953
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -140.867452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.867452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.867452 (E_RNA)
where:
Base-Base interactions energy: -72.196
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.392
local terms energy: -68.280241
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -106.020660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.020660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.020660 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -21.321
Base-Backbone interact. energy: -1.257
local terms energy: -74.538911
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -15.604
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: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -102.472564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.472564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.472564 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.089
local terms energy: -63.235165
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -6.082
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: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -364.757160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.757160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.757160 (E_RNA)
where:
Base-Base interactions energy: -246.298
where: short stacking energy: -100.037
Base-Backbone interact. energy: -1.027
local terms energy: -117.431817
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -32.552
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: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -344.432210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.432210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.432210 (E_RNA)
where:
Base-Base interactions energy: -228.450
where: short stacking energy: -96.926
Base-Backbone interact. energy: -0.018
local terms energy: -115.964003
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -30.588
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: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -349.281743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.281743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.281743 (E_RNA)
where:
Base-Base interactions energy: -242.651
where: short stacking energy: -102.920
Base-Backbone interact. energy: -0.013
local terms energy: -106.617471
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -350.220216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.220216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.220216 (E_RNA)
where:
Base-Base interactions energy: -237.582
where: short stacking energy: -94.721
Base-Backbone interact. energy: -0.097
local terms energy: -112.541311
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -33.109
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: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -337.052661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.052661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.052661 (E_RNA)
where:
Base-Base interactions energy: -227.695
where: short stacking energy: -89.225
Base-Backbone interact. energy: -0.564
local terms energy: -108.793290
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -32.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -306.751652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.751652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.751652 (E_RNA)
where:
Base-Base interactions energy: -203.795
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.112
local terms energy: -102.845257
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -302.112448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.112448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.112448 (E_RNA)
where:
Base-Base interactions energy: -200.008
where: short stacking energy: -88.586
Base-Backbone interact. energy: -0.104
local terms energy: -102.000304
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -122.930424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.930424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.930424 (E_RNA)
where:
Base-Base interactions energy: -54.940
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.400
local terms energy: -67.590758
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -101.936365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.936365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.936365 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.275
local terms energy: -51.435664
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -3.985
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: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -104.085200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.085200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.085200 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -23.585
Base-Backbone interact. energy: -0.438
local terms energy: -60.623518
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -371.531458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.531458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.531458 (E_RNA)
where:
Base-Base interactions energy: -245.188
where: short stacking energy: -98.491
Base-Backbone interact. energy: -0.207
local terms energy: -126.136284
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -37.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -359.297516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.297516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.297516 (E_RNA)
where:
Base-Base interactions energy: -249.149
where: short stacking energy: -103.963
Base-Backbone interact. energy: -0.001
local terms energy: -110.146853
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -35.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -353.780202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.780202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.780202 (E_RNA)
where:
Base-Base interactions energy: -235.252
where: short stacking energy: -97.977
Base-Backbone interact. energy: -0.042
local terms energy: -118.486706
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -26.666
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -34.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -353.911791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.911791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.911791 (E_RNA)
where:
Base-Base interactions energy: -238.661
where: short stacking energy: -96.579
Base-Backbone interact. energy: -0.002
local terms energy: -115.248997
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -30.793
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -346.837339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.837339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.837339 (E_RNA)
where:
Base-Base interactions energy: -240.143
where: short stacking energy: -96.741
Base-Backbone interact. energy: -0.003
local terms energy: -106.691558
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -34.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -312.601820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.601820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.601820 (E_RNA)
where:
Base-Base interactions energy: -206.207
where: short stacking energy: -86.225
Base-Backbone interact. energy: -0.032
local terms energy: -106.363627
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -323.208321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.208321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.208321 (E_RNA)
where:
Base-Base interactions energy: -224.828
where: short stacking energy: -82.795
Base-Backbone interact. energy: -0.009
local terms energy: -98.371220
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -31.366
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -124.906258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.906258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.906258 (E_RNA)
where:
Base-Base interactions energy: -59.280
where: short stacking energy: -35.627
Base-Backbone interact. energy: -0.796
local terms energy: -64.830033
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -104.253125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.253125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.253125 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -33.611
Base-Backbone interact. energy: -0.061
local terms energy: -70.581335
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.337
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -97.255428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.255428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.255428 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -29.162
Base-Backbone interact. energy: -0.965
local terms energy: -62.439997
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -356.043080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.043080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.043080 (E_RNA)
where:
Base-Base interactions energy: -244.814
where: short stacking energy: -99.088
Base-Backbone interact. energy: 0.257
local terms energy: -111.486363
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -34.138
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: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -362.677064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.677064 (E_RNA)
where:
Base-Base interactions energy: -242.417
where: short stacking energy: -102.762
Base-Backbone interact. energy: -0.126
local terms energy: -120.134529
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -35.794
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: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -348.021349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.021349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.021349 (E_RNA)
where:
Base-Base interactions energy: -236.869
where: short stacking energy: -90.592
Base-Backbone interact. energy: -0.009
local terms energy: -111.143030
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -348.627823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.627823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.627823 (E_RNA)
where:
Base-Base interactions energy: -239.368
where: short stacking energy: -98.859
Base-Backbone interact. energy: -0.181
local terms energy: -109.078783
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -333.175865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.175865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.175865 (E_RNA)
where:
Base-Base interactions energy: -222.032
where: short stacking energy: -93.999
Base-Backbone interact. energy: -0.131
local terms energy: -111.013598
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -313.602057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.602057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.602057 (E_RNA)
where:
Base-Base interactions energy: -216.628
where: short stacking energy: -91.461
Base-Backbone interact. energy: -0.002
local terms energy: -96.971788
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -31.881
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: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -310.935003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.935003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.935003 (E_RNA)
where:
Base-Base interactions energy: -211.644
where: short stacking energy: -80.497
Base-Backbone interact. energy: -0.145
local terms energy: -99.146370
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -103.069098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.069098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.069098 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.252
local terms energy: -72.407766
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -100.827653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827653 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -24.985
Base-Backbone interact. energy: 1.940
local terms energy: -63.359601
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -94.779789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.779789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.779789 (E_RNA)
where:
Base-Base interactions energy: -25.288
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.370
local terms energy: -69.121721
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -361.685646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.685646 (E_RNA)
where:
Base-Base interactions energy: -249.248
where: short stacking energy: -102.847
Base-Backbone interact. energy: -0.177
local terms energy: -112.260722
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -32.673
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: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -357.809186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.809186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.809186 (E_RNA)
where:
Base-Base interactions energy: -246.931
where: short stacking energy: -100.702
Base-Backbone interact. energy: -0.045
local terms energy: -110.833338
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -29.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -351.243242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.243242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.243242 (E_RNA)
where:
Base-Base interactions energy: -237.845
where: short stacking energy: -98.022
Base-Backbone interact. energy: -0.044
local terms energy: -113.354329
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -28.882
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -343.498915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.498915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.498915 (E_RNA)
where:
Base-Base interactions energy: -235.960
where: short stacking energy: -91.682
Base-Backbone interact. energy: -0.093
local terms energy: -107.446573
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -33.583
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: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -347.173279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.173279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.173279 (E_RNA)
where:
Base-Base interactions energy: -239.739
where: short stacking energy: -96.522
Base-Backbone interact. energy: 0.383
local terms energy: -107.818041
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -30.282
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -329.779662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.779662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.779662 (E_RNA)
where:
Base-Base interactions energy: -237.041
where: short stacking energy: -93.096
Base-Backbone interact. energy: -0.003
local terms energy: -92.735737
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -28.796
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: 351
Temperature: 1.200000
Total energy: -308.908930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.908930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.908930 (E_RNA)
where:
Base-Base interactions energy: -217.073
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.008
local terms energy: -91.828271
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -112.406380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.406380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.406380 (E_RNA)
where:
Base-Base interactions energy: -49.122
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.259
local terms energy: -63.025207
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -97.841402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.841402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.841402 (E_RNA)
where:
Base-Base interactions energy: -27.230
where: short stacking energy: -24.565
Base-Backbone interact. energy: -1.032
local terms energy: -69.579841
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -111.716911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.716911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.716911 (E_RNA)
where:
Base-Base interactions energy: -52.538
where: short stacking energy: -13.646
Base-Backbone interact. energy: -0.748
local terms energy: -58.430032
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: 5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -361.154203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.154203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.154203 (E_RNA)
where:
Base-Base interactions energy: -240.157
where: short stacking energy: -99.236
Base-Backbone interact. energy: -0.000
local terms energy: -120.996337
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -346.633717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.633717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.633717 (E_RNA)
where:
Base-Base interactions energy: -231.061
where: short stacking energy: -94.735
Base-Backbone interact. energy: -0.020
local terms energy: -115.552474
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -29.495
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: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -352.868805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.868805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.868805 (E_RNA)
where:
Base-Base interactions energy: -242.092
where: short stacking energy: -103.102
Base-Backbone interact. energy: -0.094
local terms energy: -110.682911
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -32.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -342.814988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.814988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.814988 (E_RNA)
where:
Base-Base interactions energy: -236.772
where: short stacking energy: -89.261
Base-Backbone interact. energy: -0.033
local terms energy: -106.010748
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -327.635005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.635005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.635005 (E_RNA)
where:
Base-Base interactions energy: -217.598
where: short stacking energy: -95.502
Base-Backbone interact. energy: -0.298
local terms energy: -109.739250
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -332.096292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.096292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.096292 (E_RNA)
where:
Base-Base interactions energy: -229.439
where: short stacking energy: -101.369
Base-Backbone interact. energy: 1.398
local terms energy: -104.055097
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -28.406
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: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -335.574137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.574137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.574137 (E_RNA)
where:
Base-Base interactions energy: -226.420
where: short stacking energy: -90.722
Base-Backbone interact. energy: -0.178
local terms energy: -108.976375
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -30.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -116.178866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.178866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.178866 (E_RNA)
where:
Base-Base interactions energy: -49.909
where: short stacking energy: -22.980
Base-Backbone interact. energy: 0.094
local terms energy: -66.363651
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -101.966935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966935 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -21.951
Base-Backbone interact. energy: 2.106
local terms energy: -63.794981
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.854
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: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -93.053134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.053134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.053134 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -24.464
Base-Backbone interact. energy: -0.496
local terms energy: -53.766728
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -367.167266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.167266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.167266 (E_RNA)
where:
Base-Base interactions energy: -247.156
where: short stacking energy: -103.029
Base-Backbone interact. energy: -0.089
local terms energy: -119.922162
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -361.284089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.284089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.284089 (E_RNA)
where:
Base-Base interactions energy: -242.373
where: short stacking energy: -95.330
Base-Backbone interact. energy: 0.639
local terms energy: -119.550556
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -33.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -341.580078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.580078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.580078 (E_RNA)
where:
Base-Base interactions energy: -230.124
where: short stacking energy: -90.883
Base-Backbone interact. energy: -0.027
local terms energy: -111.428947
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -29.606
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: 353
Temperature: 1.050000
Total energy: -344.909243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.909243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.909243 (E_RNA)
where:
Base-Base interactions energy: -233.691
where: short stacking energy: -95.321
Base-Backbone interact. energy: -0.004
local terms energy: -111.214616
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -33.393
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: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -335.425086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.425086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.425086 (E_RNA)
where:
Base-Base interactions energy: -227.419
where: short stacking energy: -85.838
Base-Backbone interact. energy: -0.230
local terms energy: -107.776376
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -333.341085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.341085 (E_RNA)
where:
Base-Base interactions energy: -224.825
where: short stacking energy: -91.837
Base-Backbone interact. energy: -0.074
local terms energy: -108.442140
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -29.430
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: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -318.478114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.478114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.478114 (E_RNA)
where:
Base-Base interactions energy: -211.138
where: short stacking energy: -83.457
Base-Backbone interact. energy: -0.130
local terms energy: -107.209641
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -30.070
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: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -101.325746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.325746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.325746 (E_RNA)
where:
Base-Base interactions energy: -39.128
where: short stacking energy: -30.624
Base-Backbone interact. energy: 3.909
local terms energy: -66.107098
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -98.668547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.668547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.668547 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -25.405
Base-Backbone interact. energy: 0.223
local terms energy: -64.575580
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -10.246
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: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -98.806800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.806800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.806800 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -33.664
Base-Backbone interact. energy: -0.438
local terms energy: -61.765336
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -360.815044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.815044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.815044 (E_RNA)
where:
Base-Base interactions energy: -239.962
where: short stacking energy: -97.790
Base-Backbone interact. energy: -0.046
local terms energy: -120.806624
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -33.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -357.358337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.358337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.358337 (E_RNA)
where:
Base-Base interactions energy: -236.227
where: short stacking energy: -98.763
Base-Backbone interact. energy: -0.007
local terms energy: -121.124072
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -34.393
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: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -358.140092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.140092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.140092 (E_RNA)
where:
Base-Base interactions energy: -240.355
where: short stacking energy: -104.503
Base-Backbone interact. energy: -0.555
local terms energy: -117.229913
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -33.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -345.001590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.001590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.001590 (E_RNA)
where:
Base-Base interactions energy: -235.059
where: short stacking energy: -90.785
Base-Backbone interact. energy: -1.163
local terms energy: -108.778921
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -31.482
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: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -336.531347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.531347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.531347 (E_RNA)
where:
Base-Base interactions energy: -224.083
where: short stacking energy: -93.279
Base-Backbone interact. energy: -0.020
local terms energy: -112.428035
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -31.929
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: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -317.901685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.901685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.901685 (E_RNA)
where:
Base-Base interactions energy: -216.573
where: short stacking energy: -85.444
Base-Backbone interact. energy: -0.023
local terms energy: -101.304978
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -26.825
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -300.494931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.494931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.494931 (E_RNA)
where:
Base-Base interactions energy: -198.997
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.010
local terms energy: -101.488390
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -30.114
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: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -113.828338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.828338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.828338 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -35.308
Base-Backbone interact. energy: -0.568
local terms energy: -76.072555
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -12.363
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: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -95.024134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.024134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.024134 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -29.226
Base-Backbone interact. energy: 0.199
local terms energy: -55.782196
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -98.034870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.034870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.034870 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -24.806
Base-Backbone interact. energy: 0.633
local terms energy: -60.740928
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -362.996034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.996034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.996034 (E_RNA)
where:
Base-Base interactions energy: -246.444
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.002
local terms energy: -116.550557
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -35.141
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -360.275166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.275166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.275166 (E_RNA)
where:
Base-Base interactions energy: -246.046
where: short stacking energy: -101.682
Base-Backbone interact. energy: -0.032
local terms energy: -114.196753
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -33.654
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -350.829859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.829859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.829859 (E_RNA)
where:
Base-Base interactions energy: -237.484
where: short stacking energy: -99.887
Base-Backbone interact. energy: -0.123
local terms energy: -113.223624
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -32.009
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: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -335.615059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.615059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.615059 (E_RNA)
where:
Base-Base interactions energy: -224.253
where: short stacking energy: -93.335
Base-Backbone interact. energy: -0.042
local terms energy: -111.320049
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -32.668
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -331.126692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.126692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.126692 (E_RNA)
where:
Base-Base interactions energy: -227.844
where: short stacking energy: -90.448
Base-Backbone interact. energy: -0.711
local terms energy: -102.572101
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -32.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -342.901773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.901773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.901773 (E_RNA)
where:
Base-Base interactions energy: -227.977
where: short stacking energy: -92.779
Base-Backbone interact. energy: -0.002
local terms energy: -114.922946
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -34.194
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -318.647121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.647121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.647121 (E_RNA)
where:
Base-Base interactions energy: -217.473
where: short stacking energy: -79.642
Base-Backbone interact. energy: -0.131
local terms energy: -101.042739
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -29.394
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: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -106.386527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.386527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.386527 (E_RNA)
where:
Base-Base interactions energy: -41.216
where: short stacking energy: -32.714
Base-Backbone interact. energy: 0.409
local terms energy: -65.579830
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -130.433323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.433323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.433323 (E_RNA)
where:
Base-Base interactions energy: -50.830
where: short stacking energy: -37.373
Base-Backbone interact. energy: -0.268
local terms energy: -79.335353
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -100.311994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.311994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.311994 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -18.361
Base-Backbone interact. energy: -0.317
local terms energy: -71.940394
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.881
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -374.368553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.368553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.368553 (E_RNA)
where:
Base-Base interactions energy: -250.773
where: short stacking energy: -104.918
Base-Backbone interact. energy: -0.110
local terms energy: -123.485495
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -35.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -354.707685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.707685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.707685 (E_RNA)
where:
Base-Base interactions energy: -245.563
where: short stacking energy: -98.556
Base-Backbone interact. energy: -0.102
local terms energy: -109.041958
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -33.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -350.397414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.397414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.397414 (E_RNA)
where:
Base-Base interactions energy: -227.696
where: short stacking energy: -93.528
Base-Backbone interact. energy: -0.145
local terms energy: -122.556705
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -329.467912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.467912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.467912 (E_RNA)
where:
Base-Base interactions energy: -226.546
where: short stacking energy: -86.609
Base-Backbone interact. energy: -0.135
local terms energy: -102.786776
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -25.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -340.893069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.893069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.893069 (E_RNA)
where:
Base-Base interactions energy: -226.278
where: short stacking energy: -87.656
Base-Backbone interact. energy: -0.018
local terms energy: -114.596734
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -31.001
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -318.452307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.452307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.452307 (E_RNA)
where:
Base-Base interactions energy: -218.796
where: short stacking energy: -90.864
Base-Backbone interact. energy: -0.075
local terms energy: -99.581034
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -314.064609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.064609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.064609 (E_RNA)
where:
Base-Base interactions energy: -213.642
where: short stacking energy: -81.143
Base-Backbone interact. energy: -0.013
local terms energy: -100.409873
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -27.560
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: 356
Temperature: 1.250000
Total energy: -108.820291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.820291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.820291 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.195
local terms energy: -78.590711
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -101.165951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.165951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.165951 (E_RNA)
where:
Base-Base interactions energy: -42.925
where: short stacking energy: -16.610
Base-Backbone interact. energy: -0.387
local terms energy: -57.853869
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: 7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -127.499965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.499965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.499965 (E_RNA)
where:
Base-Base interactions energy: -66.046
where: short stacking energy: -38.464
Base-Backbone interact. energy: -0.066
local terms energy: -61.387989
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.270
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: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -366.311437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.311437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.311437 (E_RNA)
where:
Base-Base interactions energy: -246.182
where: short stacking energy: -106.247
Base-Backbone interact. energy: -0.005
local terms energy: -120.124421
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -355.037485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.037485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.037485 (E_RNA)
where:
Base-Base interactions energy: -238.464
where: short stacking energy: -97.246
Base-Backbone interact. energy: -0.101
local terms energy: -116.473122
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -350.868536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.868536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.868536 (E_RNA)
where:
Base-Base interactions energy: -239.628
where: short stacking energy: -100.277
Base-Backbone interact. energy: 0.163
local terms energy: -111.403431
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -32.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -332.016509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.016509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.016509 (E_RNA)
where:
Base-Base interactions energy: -221.880
where: short stacking energy: -94.062
Base-Backbone interact. energy: -0.014
local terms energy: -110.122423
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -29.433
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: 357
Temperature: 1.100000
Total energy: -330.465871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.465871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.465871 (E_RNA)
where:
Base-Base interactions energy: -221.460
where: short stacking energy: -91.416
Base-Backbone interact. energy: -0.010
local terms energy: -108.995469
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -31.281
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -313.939289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.939289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.939289 (E_RNA)
where:
Base-Base interactions energy: -221.510
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.124
local terms energy: -92.305645
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -304.437326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.437326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.437326 (E_RNA)
where:
Base-Base interactions energy: -205.158
where: short stacking energy: -84.254
Base-Backbone interact. energy: -1.076
local terms energy: -98.203819
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -22.161
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: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -108.438135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.438135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.438135 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -29.321
Base-Backbone interact. energy: -1.547
local terms energy: -69.419620
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -108.518904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.518904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.518904 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -15.963
Base-Backbone interact. energy: -1.301
local terms energy: -71.769540
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -25.471
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: 4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -95.415034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.415034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.415034 (E_RNA)
where:
Base-Base interactions energy: -37.329
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.321
local terms energy: -57.765063
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -7.720
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: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -371.722553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.722553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.722553 (E_RNA)
where:
Base-Base interactions energy: -251.850
where: short stacking energy: -105.763
Base-Backbone interact. energy: 0.045
local terms energy: -119.917449
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -34.508
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: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -360.763475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.763475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.763475 (E_RNA)
where:
Base-Base interactions energy: -242.783
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.016
local terms energy: -117.964675
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -347.099636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.099636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.099636 (E_RNA)
where:
Base-Base interactions energy: -234.470
where: short stacking energy: -95.845
Base-Backbone interact. energy: -0.126
local terms energy: -112.504045
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -33.669
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -344.237977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.237977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.237977 (E_RNA)
where:
Base-Base interactions energy: -228.648
where: short stacking energy: -90.477
Base-Backbone interact. energy: -0.673
local terms energy: -114.916555
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -34.040
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -312.711836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.711836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.711836 (E_RNA)
where:
Base-Base interactions energy: -212.870
where: short stacking energy: -87.409
Base-Backbone interact. energy: -0.154
local terms energy: -99.687496
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -26.401
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: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -332.110253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.110253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.110253 (E_RNA)
where:
Base-Base interactions energy: -221.787
where: short stacking energy: -82.042
Base-Backbone interact. energy: -0.291
local terms energy: -110.032328
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -32.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -317.588950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.588950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.588950 (E_RNA)
where:
Base-Base interactions energy: -219.494
where: short stacking energy: -83.117
Base-Backbone interact. energy: -0.086
local terms energy: -98.008493
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -27.725
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: 358
Temperature: 1.250000
Total energy: -108.872661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.872661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.872661 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -25.434
Base-Backbone interact. energy: -0.615
local terms energy: -62.941651
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.906
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: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -98.261593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.261593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.261593 (E_RNA)
where:
Base-Base interactions energy: -27.776
where: short stacking energy: -26.920
Base-Backbone interact. energy: -0.207
local terms energy: -70.279025
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -90.375155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375155 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.622
local terms energy: -61.856187
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -363.033745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.033745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.033745 (E_RNA)
where:
Base-Base interactions energy: -246.672
where: short stacking energy: -98.559
Base-Backbone interact. energy: -0.030
local terms energy: -116.331588
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -31.389
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -356.833720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.833720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.833720 (E_RNA)
where:
Base-Base interactions energy: -243.272
where: short stacking energy: -94.613
Base-Backbone interact. energy: -0.034
local terms energy: -113.527794
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -29.567
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -348.079125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.079125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.079125 (E_RNA)
where:
Base-Base interactions energy: -233.378
where: short stacking energy: -90.955
Base-Backbone interact. energy: -0.051
local terms energy: -114.650067
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -29.587
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: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -352.054349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.054349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.054349 (E_RNA)
where:
Base-Base interactions energy: -236.615
where: short stacking energy: -96.476
Base-Backbone interact. energy: 1.660
local terms energy: -117.099418
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -34.334
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: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -342.164408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.164408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.164408 (E_RNA)
where:
Base-Base interactions energy: -232.502
where: short stacking energy: -91.026
Base-Backbone interact. energy: 0.303
local terms energy: -109.965702
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -33.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -336.013914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.013914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.013914 (E_RNA)
where:
Base-Base interactions energy: -227.417
where: short stacking energy: -91.794
Base-Backbone interact. energy: -0.001
local terms energy: -108.596470
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -33.693
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: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -319.630920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.630920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.630920 (E_RNA)
where:
Base-Base interactions energy: -219.857
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.490
local terms energy: -99.283624
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -26.086
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: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -130.009365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.009365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.009365 (E_RNA)
where:
Base-Base interactions energy: -53.445
where: short stacking energy: -44.748
Base-Backbone interact. energy: -0.002
local terms energy: -76.563175
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -121.801375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.801375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.801375 (E_RNA)
where:
Base-Base interactions energy: -56.043
where: short stacking energy: -29.010
Base-Backbone interact. energy: 1.649
local terms energy: -67.407475
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -5.574
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: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -93.162643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.162643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.162643 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.175
local terms energy: -59.056046
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: 0.360
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -360.880212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.880212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.880212 (E_RNA)
where:
Base-Base interactions energy: -245.792
where: short stacking energy: -98.053
Base-Backbone interact. energy: -0.002
local terms energy: -115.086404
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -31.199
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: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -355.596910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.596910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.596910 (E_RNA)
where:
Base-Base interactions energy: -239.909
where: short stacking energy: -100.002
Base-Backbone interact. energy: -0.709
local terms energy: -114.979581
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -31.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -356.977599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.977599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.977599 (E_RNA)
where:
Base-Base interactions energy: -243.560
where: short stacking energy: -105.572
Base-Backbone interact. energy: -0.001
local terms energy: -113.416633
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -32.449
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: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -346.618876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.618876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.618876 (E_RNA)
where:
Base-Base interactions energy: -225.963
where: short stacking energy: -94.421
Base-Backbone interact. energy: -0.002
local terms energy: -120.653309
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -34.501
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: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -333.489677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.489677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.489677 (E_RNA)
where:
Base-Base interactions energy: -230.561
where: short stacking energy: -88.545
Base-Backbone interact. energy: -0.205
local terms energy: -102.723517
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -31.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -325.284058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.284058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.284058 (E_RNA)
where:
Base-Base interactions energy: -232.212
where: short stacking energy: -93.450
Base-Backbone interact. energy: -0.053
local terms energy: -93.018871
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -28.531
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: 360
Temperature: 1.200000
Total energy: -322.714696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.714696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.714696 (E_RNA)
where:
Base-Base interactions energy: -218.958
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.607
local terms energy: -103.149747
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -28.946
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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -98.727265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.727265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.727265 (E_RNA)
where:
Base-Base interactions energy: -23.566
where: short stacking energy: -23.052
Base-Backbone interact. energy: 2.193
local terms energy: -77.354295
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -115.262246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.262246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.262246 (E_RNA)
where:
Base-Base interactions energy: -46.491
where: short stacking energy: -37.620
Base-Backbone interact. energy: -0.191
local terms energy: -68.580685
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -103.699888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.699888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.699888 (E_RNA)
where:
Base-Base interactions energy: -43.191
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.408
local terms energy: -60.101301
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: 3.419
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: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -360.256357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.256357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.256357 (E_RNA)
where:
Base-Base interactions energy: -242.170
where: short stacking energy: -100.353
Base-Backbone interact. energy: -1.055
local terms energy: -117.031525
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -33.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -361.460655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.460655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.460655 (E_RNA)
where:
Base-Base interactions energy: -245.913
where: short stacking energy: -101.829
Base-Backbone interact. energy: 0.672
local terms energy: -116.219328
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -32.473
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: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -350.056452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.056452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.056452 (E_RNA)
where:
Base-Base interactions energy: -240.836
where: short stacking energy: -100.499
Base-Backbone interact. energy: -0.004
local terms energy: -109.216167
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -31.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -341.367177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.367177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.367177 (E_RNA)
where:
Base-Base interactions energy: -229.306
where: short stacking energy: -90.192
Base-Backbone interact. energy: 0.677
local terms energy: -112.737460
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -30.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -328.208079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.208079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.208079 (E_RNA)
where:
Base-Base interactions energy: -217.982
where: short stacking energy: -82.030
Base-Backbone interact. energy: -0.197
local terms energy: -110.028604
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -29.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -314.020782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.020782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.020782 (E_RNA)
where:
Base-Base interactions energy: -210.625
where: short stacking energy: -75.199
Base-Backbone interact. energy: 0.350
local terms energy: -103.745236
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -342.656217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.656217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.656217 (E_RNA)
where:
Base-Base interactions energy: -235.151
where: short stacking energy: -94.963
Base-Backbone interact. energy: -0.070
local terms energy: -107.434697
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -30.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -121.817240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.817240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.817240 (E_RNA)
where:
Base-Base interactions energy: -54.744
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.132
local terms energy: -66.941975
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: 2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -107.053884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.053884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.053884 (E_RNA)
where:
Base-Base interactions energy: -47.826
where: short stacking energy: -26.681
Base-Backbone interact. energy: -0.595
local terms energy: -58.632726
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -1.590
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: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.620090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620090 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -22.498
Base-Backbone interact. energy: 1.107
local terms energy: -59.234163
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: 9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -378.527451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.527451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.527451 (E_RNA)
where:
Base-Base interactions energy: -261.840
where: short stacking energy: -111.207
Base-Backbone interact. energy: -0.001
local terms energy: -116.687017
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -352.335548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.335548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.335548 (E_RNA)
where:
Base-Base interactions energy: -241.975
where: short stacking energy: -95.416
Base-Backbone interact. energy: -0.044
local terms energy: -110.316138
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -31.471
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: 362
Temperature: 1.000000
Total energy: -344.987856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.987856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.987856 (E_RNA)
where:
Base-Base interactions energy: -236.407
where: short stacking energy: -95.070
Base-Backbone interact. energy: -1.225
local terms energy: -107.356693
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -30.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -334.682644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.682644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.682644 (E_RNA)
where:
Base-Base interactions energy: -226.436
where: short stacking energy: -90.850
Base-Backbone interact. energy: 0.313
local terms energy: -108.560061
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -30.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -329.060959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.060959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.060959 (E_RNA)
where:
Base-Base interactions energy: -229.429
where: short stacking energy: -89.070
Base-Backbone interact. energy: -0.106
local terms energy: -99.525558
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -307.366005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.366005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.366005 (E_RNA)
where:
Base-Base interactions energy: -216.953
where: short stacking energy: -92.564
Base-Backbone interact. energy: -0.007
local terms energy: -90.405767
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -321.933962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.933962 (E_RNA)
where:
Base-Base interactions energy: -210.759
where: short stacking energy: -87.554
Base-Backbone interact. energy: -0.334
local terms energy: -110.841261
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -29.475
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -107.123681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.123681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.123681 (E_RNA)
where:
Base-Base interactions energy: -44.140
where: short stacking energy: -20.359
Base-Backbone interact. energy: -0.675
local terms energy: -62.309052
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.927
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -109.376504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376504 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.121
local terms energy: -68.685965
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -13.785
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: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -96.985190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.985190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.985190 (E_RNA)
where:
Base-Base interactions energy: -44.248
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.511
local terms energy: -52.226500
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.612
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: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -369.241737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.241737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.241737 (E_RNA)
where:
Base-Base interactions energy: -254.883
where: short stacking energy: -107.039
Base-Backbone interact. energy: -0.005
local terms energy: -114.353528
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -359.199683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.199683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.199683 (E_RNA)
where:
Base-Base interactions energy: -248.118
where: short stacking energy: -106.156
Base-Backbone interact. energy: -0.104
local terms energy: -110.978151
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -30.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -340.003187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.003187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.003187 (E_RNA)
where:
Base-Base interactions energy: -229.601
where: short stacking energy: -89.854
Base-Backbone interact. energy: -0.250
local terms energy: -110.152443
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -351.288342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.288342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.288342 (E_RNA)
where:
Base-Base interactions energy: -237.318
where: short stacking energy: -96.500
Base-Backbone interact. energy: 0.061
local terms energy: -114.031508
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -30.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -315.755081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.755081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.755081 (E_RNA)
where:
Base-Base interactions energy: -218.576
where: short stacking energy: -89.988
Base-Backbone interact. energy: 1.437
local terms energy: -98.616060
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -25.143
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: 363
Temperature: 1.150000
Total energy: -298.848510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.848510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.848510 (E_RNA)
where:
Base-Base interactions energy: -201.184
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.192
local terms energy: -97.472273
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -303.185911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.185911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.185911 (E_RNA)
where:
Base-Base interactions energy: -207.349
where: short stacking energy: -87.537
Base-Backbone interact. energy: -0.005
local terms energy: -95.832723
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -110.333909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.333909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.333909 (E_RNA)
where:
Base-Base interactions energy: -45.900
where: short stacking energy: -35.800
Base-Backbone interact. energy: -0.051
local terms energy: -64.382145
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 1.746
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: 363
Temperature: 1.300000
Total energy: -96.558021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.558021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.558021 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -20.013
Base-Backbone interact. energy: 2.844
local terms energy: -54.018708
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.957
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: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -104.470728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.470728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.470728 (E_RNA)
where:
Base-Base interactions energy: -42.349
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.807
local terms energy: -61.315063
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -5.876
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -360.338987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.338987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.338987 (E_RNA)
where:
Base-Base interactions energy: -245.487
where: short stacking energy: -99.056
Base-Backbone interact. energy: -0.033
local terms energy: -114.818828
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -30.292
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -358.523290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.523290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.523290 (E_RNA)
where:
Base-Base interactions energy: -238.299
where: short stacking energy: -101.686
Base-Backbone interact. energy: -2.054
local terms energy: -118.169772
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -34.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -337.032609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.032609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.032609 (E_RNA)
where:
Base-Base interactions energy: -227.955
where: short stacking energy: -90.188
Base-Backbone interact. energy: -0.651
local terms energy: -108.426418
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -340.576707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.576707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.576707 (E_RNA)
where:
Base-Base interactions energy: -237.163
where: short stacking energy: -94.155
Base-Backbone interact. energy: -0.016
local terms energy: -103.398033
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -27.832
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: 364
Temperature: 1.100000
Total energy: -328.250114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.250114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.250114 (E_RNA)
where:
Base-Base interactions energy: -215.981
where: short stacking energy: -83.692
Base-Backbone interact. energy: 0.101
local terms energy: -112.369806
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -30.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -316.689522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.689522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.689522 (E_RNA)
where:
Base-Base interactions energy: -216.113
where: short stacking energy: -90.054
Base-Backbone interact. energy: -0.068
local terms energy: -100.509116
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -313.927151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.927151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.927151 (E_RNA)
where:
Base-Base interactions energy: -211.768
where: short stacking energy: -87.454
Base-Backbone interact. energy: -1.074
local terms energy: -101.084525
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -32.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -119.223399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.223399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.223399 (E_RNA)
where:
Base-Base interactions energy: -49.989
where: short stacking energy: -32.088
Base-Backbone interact. energy: -0.610
local terms energy: -68.624329
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -99.303139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303139 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -26.594
Base-Backbone interact. energy: -0.262
local terms energy: -60.154865
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -1.344
tors. eta vs tors. theta energy: 3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -91.327039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.327039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.327039 (E_RNA)
where:
Base-Base interactions energy: -21.180
where: short stacking energy: -19.753
Base-Backbone interact. energy: -0.124
local terms energy: -70.022647
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: 4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -357.933300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.933300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.933300 (E_RNA)
where:
Base-Base interactions energy: -236.984
where: short stacking energy: -97.319
Base-Backbone interact. energy: -0.025
local terms energy: -120.923849
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -32.317
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -356.628596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.628596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.628596 (E_RNA)
where:
Base-Base interactions energy: -246.276
where: short stacking energy: -97.693
Base-Backbone interact. energy: -0.824
local terms energy: -109.527783
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -32.389
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: 365
Temperature: 1.000000
Total energy: -350.317720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.317720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.317720 (E_RNA)
where:
Base-Base interactions energy: -244.029
where: short stacking energy: -100.745
Base-Backbone interact. energy: -0.933
local terms energy: -105.356097
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -30.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -346.220455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.220455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.220455 (E_RNA)
where:
Base-Base interactions energy: -242.103
where: short stacking energy: -97.697
Base-Backbone interact. energy: -0.108
local terms energy: -104.009571
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -32.083
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: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -326.979018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.979018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.979018 (E_RNA)
where:
Base-Base interactions energy: -215.105
where: short stacking energy: -90.708
Base-Backbone interact. energy: -2.105
local terms energy: -109.768677
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -31.979
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: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -329.323197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.323197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.323197 (E_RNA)
where:
Base-Base interactions energy: -224.455
where: short stacking energy: -95.589
Base-Backbone interact. energy: 0.771
local terms energy: -105.638883
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -324.264930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.264930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.264930 (E_RNA)
where:
Base-Base interactions energy: -211.159
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.002
local terms energy: -113.104312
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -123.020947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.020947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.020947 (E_RNA)
where:
Base-Base interactions energy: -53.342
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.430
local terms energy: -69.248556
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -124.874306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.874306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.874306 (E_RNA)
where:
Base-Base interactions energy: -60.498
where: short stacking energy: -32.343
Base-Backbone interact. energy: 0.854
local terms energy: -65.230262
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -93.480492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480492 (E_RNA)
where:
Base-Base interactions energy: -26.366
where: short stacking energy: -16.221
Base-Backbone interact. energy: -0.382
local terms energy: -66.733061
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -353.041708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.041708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.041708 (E_RNA)
where:
Base-Base interactions energy: -230.293
where: short stacking energy: -90.600
Base-Backbone interact. energy: -0.028
local terms energy: -122.720455
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -33.228
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: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -357.887729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.887729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.887729 (E_RNA)
where:
Base-Base interactions energy: -243.048
where: short stacking energy: -95.703
Base-Backbone interact. energy: -0.032
local terms energy: -114.807702
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -344.105318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.105318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.105318 (E_RNA)
where:
Base-Base interactions energy: -231.146
where: short stacking energy: -94.500
Base-Backbone interact. energy: -0.002
local terms energy: -112.957557
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -34.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -342.716039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.716039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.716039 (E_RNA)
where:
Base-Base interactions energy: -223.240
where: short stacking energy: -93.073
Base-Backbone interact. energy: -0.050
local terms energy: -119.425529
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -34.299
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: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -336.605132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.605132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.605132 (E_RNA)
where:
Base-Base interactions energy: -227.905
where: short stacking energy: -96.517
Base-Backbone interact. energy: 2.176
local terms energy: -110.876477
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -30.610
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: 366
Temperature: 1.150000
Total energy: -351.010007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.010007 (E_RNA)
where:
Base-Base interactions energy: -232.918
where: short stacking energy: -97.742
Base-Backbone interact. energy: 1.791
local terms energy: -119.883463
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -34.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -315.933912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.933912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.933912 (E_RNA)
where:
Base-Base interactions energy: -222.434
where: short stacking energy: -88.927
Base-Backbone interact. energy: -0.854
local terms energy: -92.646694
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -105.233169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.233169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.233169 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -35.872
Base-Backbone interact. energy: -0.401
local terms energy: -66.286819
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -7.412
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: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -96.656225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.656225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.656225 (E_RNA)
where:
Base-Base interactions energy: -28.273
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.285
local terms energy: -68.097672
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -89.674058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.674058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.674058 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -16.184
Base-Backbone interact. energy: 0.450
local terms energy: -55.117292
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: 10.732
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: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -364.202590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.202590 (E_RNA)
where:
Base-Base interactions energy: -258.448
where: short stacking energy: -104.416
Base-Backbone interact. energy: -0.023
local terms energy: -105.731516
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -34.502
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: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -353.498615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.498615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.498615 (E_RNA)
where:
Base-Base interactions energy: -245.555
where: short stacking energy: -95.587
Base-Backbone interact. energy: -0.025
local terms energy: -107.918623
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -26.716
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: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -348.115005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.115005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.115005 (E_RNA)
where:
Base-Base interactions energy: -237.512
where: short stacking energy: -92.659
Base-Backbone interact. energy: 0.458
local terms energy: -111.060845
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -326.963208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.963208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.963208 (E_RNA)
where:
Base-Base interactions energy: -224.969
where: short stacking energy: -93.320
Base-Backbone interact. energy: -0.076
local terms energy: -101.917665
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -23.152
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: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -343.610244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.610244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.610244 (E_RNA)
where:
Base-Base interactions energy: -241.011
where: short stacking energy: -101.501
Base-Backbone interact. energy: -0.003
local terms energy: -102.596088
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -34.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -318.054309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.054309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.054309 (E_RNA)
where:
Base-Base interactions energy: -213.611
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.035
local terms energy: -104.408065
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -27.548
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: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -333.066589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.066589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.066589 (E_RNA)
where:
Base-Base interactions energy: -232.151
where: short stacking energy: -98.180
Base-Backbone interact. energy: 0.779
local terms energy: -101.694808
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -113.335119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.335119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.335119 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -31.028
Base-Backbone interact. energy: -0.607
local terms energy: -69.801976
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -5.933
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -3.783
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: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -108.681132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.681132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.681132 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.142
local terms energy: -70.377365
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -90.836415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836415 (E_RNA)
where:
Base-Base interactions energy: -40.634
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.207
local terms energy: -49.994900
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: 2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -373.076878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.076878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.076878 (E_RNA)
where:
Base-Base interactions energy: -249.428
where: short stacking energy: -101.345
Base-Backbone interact. energy: -0.002
local terms energy: -123.646938
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -36.447
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: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -355.945886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.945886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.945886 (E_RNA)
where:
Base-Base interactions energy: -240.814
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.002
local terms energy: -115.130129
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -338.512112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.512112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.512112 (E_RNA)
where:
Base-Base interactions energy: -226.689
where: short stacking energy: -85.778
Base-Backbone interact. energy: 1.288
local terms energy: -113.111146
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -326.750098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.750098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.750098 (E_RNA)
where:
Base-Base interactions energy: -216.267
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.695
local terms energy: -109.788133
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -27.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -333.776490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.776490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.776490 (E_RNA)
where:
Base-Base interactions energy: -233.193
where: short stacking energy: -89.556
Base-Backbone interact. energy: -0.095
local terms energy: -100.488520
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -28.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -334.247778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.247778 (E_RNA)
where:
Base-Base interactions energy: -229.881
where: short stacking energy: -89.541
Base-Backbone interact. energy: -0.314
local terms energy: -104.052408
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -325.905864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.905864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.905864 (E_RNA)
where:
Base-Base interactions energy: -227.019
where: short stacking energy: -92.448
Base-Backbone interact. energy: -0.099
local terms energy: -98.788566
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -102.815629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.815629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.815629 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.673
local terms energy: -63.897684
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: 0.441
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -100.233487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.233487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.233487 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -25.653
Base-Backbone interact. energy: 0.197
local terms energy: -66.638386
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -91.928556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.928556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.928556 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -29.588
Base-Backbone interact. energy: -1.138
local terms energy: -55.481346
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -367.496620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.496620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.496620 (E_RNA)
where:
Base-Base interactions energy: -248.297
where: short stacking energy: -104.941
Base-Backbone interact. energy: -0.071
local terms energy: -119.128623
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -24.596
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -33.257
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: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -361.136412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.136412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.136412 (E_RNA)
where:
Base-Base interactions energy: -242.641
where: short stacking energy: -104.958
Base-Backbone interact. energy: -0.003
local terms energy: -118.492640
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -37.440
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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -344.765028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.765028 (E_RNA)
where:
Base-Base interactions energy: -240.336
where: short stacking energy: -93.333
Base-Backbone interact. energy: -0.123
local terms energy: -104.306538
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -328.583779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.583779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.583779 (E_RNA)
where:
Base-Base interactions energy: -221.170
where: short stacking energy: -88.507
Base-Backbone interact. energy: 0.296
local terms energy: -107.710452
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -31.876
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: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -319.627667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.627667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.627667 (E_RNA)
where:
Base-Base interactions energy: -213.989
where: short stacking energy: -84.719
Base-Backbone interact. energy: 0.105
local terms energy: -105.743462
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -27.527
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: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -336.664773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.664773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.664773 (E_RNA)
where:
Base-Base interactions energy: -223.500
where: short stacking energy: -91.409
Base-Backbone interact. energy: -0.005
local terms energy: -113.159957
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -30.084
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: 369
Temperature: 1.200000
Total energy: -315.488726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.488726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.488726 (E_RNA)
where:
Base-Base interactions energy: -212.168
where: short stacking energy: -88.986
Base-Backbone interact. energy: -0.019
local terms energy: -103.301298
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -101.966587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966587 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -34.159
Base-Backbone interact. energy: 1.337
local terms energy: -64.597779
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -105.202113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.202113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.202113 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.499
local terms energy: -69.479349
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -95.980587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980587 (E_RNA)
where:
Base-Base interactions energy: -14.510
where: short stacking energy: -13.821
Base-Backbone interact. energy: -0.420
local terms energy: -81.050249
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: 4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -368.876056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.876056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.876056 (E_RNA)
where:
Base-Base interactions energy: -243.794
where: short stacking energy: -103.457
Base-Backbone interact. energy: -0.002
local terms energy: -125.079264
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -35.102
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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -367.901811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.901811 (E_RNA)
where:
Base-Base interactions energy: -246.821
where: short stacking energy: -104.375
Base-Backbone interact. energy: 0.858
local terms energy: -121.938624
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -35.869
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: 370
Temperature: 1.000000
Total energy: -358.363719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.363719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.363719 (E_RNA)
where:
Base-Base interactions energy: -242.316
where: short stacking energy: -101.775
Base-Backbone interact. energy: -0.082
local terms energy: -115.965457
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -34.151
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: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -339.065837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.065837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.065837 (E_RNA)
where:
Base-Base interactions energy: -224.687
where: short stacking energy: -90.344
Base-Backbone interact. energy: -0.369
local terms energy: -114.009365
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -32.704
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -326.955054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.955054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.955054 (E_RNA)
where:
Base-Base interactions energy: -217.315
where: short stacking energy: -85.005
Base-Backbone interact. energy: 1.085
local terms energy: -110.724378
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -312.170325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.170325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.170325 (E_RNA)
where:
Base-Base interactions energy: -207.168
where: short stacking energy: -85.732
Base-Backbone interact. energy: -0.346
local terms energy: -104.655945
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -24.993
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: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -305.464169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.464169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.464169 (E_RNA)
where:
Base-Base interactions energy: -209.946
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.082
local terms energy: -95.436014
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -102.706233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.706233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.706233 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.339
local terms energy: -65.255872
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -15.233
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: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -103.255294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255294 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.166
local terms energy: -61.689964
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -99.808370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.808370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.808370 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -27.928
Base-Backbone interact. energy: -1.011
local terms energy: -65.357798
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -366.117524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.117524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.117524 (E_RNA)
where:
Base-Base interactions energy: -251.652
where: short stacking energy: -107.472
Base-Backbone interact. energy: -0.014
local terms energy: -114.450636
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -34.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -353.433576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.433576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.433576 (E_RNA)
where:
Base-Base interactions energy: -232.821
where: short stacking energy: -98.630
Base-Backbone interact. energy: 0.947
local terms energy: -121.560208
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -357.611298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.611298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.611298 (E_RNA)
where:
Base-Base interactions energy: -245.914
where: short stacking energy: -89.014
Base-Backbone interact. energy: -0.542
local terms energy: -111.155475
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -28.365
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: 371
Temperature: 1.050000
Total energy: -339.564438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.564438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.564438 (E_RNA)
where:
Base-Base interactions energy: -235.550
where: short stacking energy: -91.937
Base-Backbone interact. energy: -1.200
local terms energy: -102.815094
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -337.891440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.891440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.891440 (E_RNA)
where:
Base-Base interactions energy: -236.856
where: short stacking energy: -94.149
Base-Backbone interact. energy: -0.200
local terms energy: -100.836116
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -313.965398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.965398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.965398 (E_RNA)
where:
Base-Base interactions energy: -220.292
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.206
local terms energy: -93.467335
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -301.696477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.696477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.696477 (E_RNA)
where:
Base-Base interactions energy: -202.268
where: short stacking energy: -89.074
Base-Backbone interact. energy: -0.021
local terms energy: -99.407447
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -24.698
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: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -107.622071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.622071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.622071 (E_RNA)
where:
Base-Base interactions energy: -50.727
where: short stacking energy: -32.181
Base-Backbone interact. energy: 0.315
local terms energy: -57.210401
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: 3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -110.345964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.345964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.345964 (E_RNA)
where:
Base-Base interactions energy: -49.164
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.018
local terms energy: -61.163619
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -109.530239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.530239 (E_RNA)
where:
Base-Base interactions energy: -40.072
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.239
local terms energy: -69.219649
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.770
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: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -365.769887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.769887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.769887 (E_RNA)
where:
Base-Base interactions energy: -245.727
where: short stacking energy: -100.524
Base-Backbone interact. energy: -0.701
local terms energy: -119.341320
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -36.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -362.356735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.356735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.356735 (E_RNA)
where:
Base-Base interactions energy: -241.460
where: short stacking energy: -105.811
Base-Backbone interact. energy: -0.005
local terms energy: -120.891533
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -35.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -356.828904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.828904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.828904 (E_RNA)
where:
Base-Base interactions energy: -233.816
where: short stacking energy: -97.327
Base-Backbone interact. energy: -0.843
local terms energy: -122.170248
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -33.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -337.923362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.923362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.923362 (E_RNA)
where:
Base-Base interactions energy: -231.975
where: short stacking energy: -98.688
Base-Backbone interact. energy: -0.404
local terms energy: -105.544122
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -33.840
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: 372
Temperature: 1.100000
Total energy: -349.590080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.590080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.590080 (E_RNA)
where:
Base-Base interactions energy: -243.019
where: short stacking energy: -93.903
Base-Backbone interact. energy: -0.168
local terms energy: -106.402756
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -35.259
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: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -331.244836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.244836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.244836 (E_RNA)
where:
Base-Base interactions energy: -227.389
where: short stacking energy: -90.897
Base-Backbone interact. energy: -0.010
local terms energy: -103.846193
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -306.570496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.570496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.570496 (E_RNA)
where:
Base-Base interactions energy: -205.500
where: short stacking energy: -83.086
Base-Backbone interact. energy: 1.019
local terms energy: -102.088843
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -27.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -111.899850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.899850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.899850 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.615
local terms energy: -73.447232
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -2.546
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: 372
Temperature: 1.300000
Total energy: -120.821339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.821339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.821339 (E_RNA)
where:
Base-Base interactions energy: -60.941
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.920
local terms energy: -58.959774
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -6.447
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: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -95.026445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.026445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.026445 (E_RNA)
where:
Base-Base interactions energy: -26.887
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.329
local terms energy: -67.810401
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -14.530
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: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -367.567175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.567175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.567175 (E_RNA)
where:
Base-Base interactions energy: -245.080
where: short stacking energy: -101.964
Base-Backbone interact. energy: -0.028
local terms energy: -122.458340
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -32.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -361.641184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.641184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.641184 (E_RNA)
where:
Base-Base interactions energy: -244.012
where: short stacking energy: -96.082
Base-Backbone interact. energy: -0.229
local terms energy: -117.400650
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -32.000
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: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -344.412213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.412213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.412213 (E_RNA)
where:
Base-Base interactions energy: -233.196
where: short stacking energy: -87.024
Base-Backbone interact. energy: -0.074
local terms energy: -111.142628
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -31.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -335.054606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.054606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.054606 (E_RNA)
where:
Base-Base interactions energy: -222.595
where: short stacking energy: -87.309
Base-Backbone interact. energy: 0.185
local terms energy: -112.644766
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -30.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -342.380948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.380948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.380948 (E_RNA)
where:
Base-Base interactions energy: -233.476
where: short stacking energy: -98.129
Base-Backbone interact. energy: -0.037
local terms energy: -108.867295
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -31.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -325.486562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.486562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.486562 (E_RNA)
where:
Base-Base interactions energy: -233.771
where: short stacking energy: -91.658
Base-Backbone interact. energy: -0.007
local terms energy: -91.708602
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -30.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -318.844493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.844493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.844493 (E_RNA)
where:
Base-Base interactions energy: -218.604
where: short stacking energy: -83.350
Base-Backbone interact. energy: 0.640
local terms energy: -100.880057
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -120.321079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.321079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.321079 (E_RNA)
where:
Base-Base interactions energy: -54.820
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.323
local terms energy: -65.178282
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -109.463708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.463708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.463708 (E_RNA)
where:
Base-Base interactions energy: -51.646
where: short stacking energy: -19.472
Base-Backbone interact. energy: -0.293
local terms energy: -57.524397
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: 3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -101.015392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.015392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.015392 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.080
local terms energy: -60.611534
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: 0.201
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: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -364.409796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.409796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.409796 (E_RNA)
where:
Base-Base interactions energy: -250.799
where: short stacking energy: -110.764
Base-Backbone interact. energy: -0.903
local terms energy: -112.707682
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -35.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -362.596544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.596544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.596544 (E_RNA)
where:
Base-Base interactions energy: -245.731
where: short stacking energy: -103.542
Base-Backbone interact. energy: 1.650
local terms energy: -118.515771
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -35.192
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -350.263809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.263809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.263809 (E_RNA)
where:
Base-Base interactions energy: -247.367
where: short stacking energy: -80.936
Base-Backbone interact. energy: -0.100
local terms energy: -102.797224
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -337.264633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.264633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.264633 (E_RNA)
where:
Base-Base interactions energy: -233.065
where: short stacking energy: -98.654
Base-Backbone interact. energy: -0.007
local terms energy: -104.192400
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -31.995
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: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -333.957797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.957797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.957797 (E_RNA)
where:
Base-Base interactions energy: -229.265
where: short stacking energy: -89.087
Base-Backbone interact. energy: -0.045
local terms energy: -104.647836
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -31.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -330.634785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.634785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.634785 (E_RNA)
where:
Base-Base interactions energy: -228.776
where: short stacking energy: -88.689
Base-Backbone interact. energy: -0.065
local terms energy: -101.792852
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -32.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -319.290674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.290674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.290674 (E_RNA)
where:
Base-Base interactions energy: -219.876
where: short stacking energy: -83.714
Base-Backbone interact. energy: -0.033
local terms energy: -99.381458
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -35.183
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: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -101.547953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.547953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.547953 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -30.855
Base-Backbone interact. energy: 0.109
local terms energy: -67.254758
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -98.783994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.783994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.783994 (E_RNA)
where:
Base-Base interactions energy: -40.348
where: short stacking energy: -26.032
Base-Backbone interact. energy: -0.174
local terms energy: -58.261480
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.198
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: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -106.248650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.248650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.248650 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.371
local terms energy: -61.481444
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -367.369180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.369180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.369180 (E_RNA)
where:
Base-Base interactions energy: -250.960
where: short stacking energy: -106.560
Base-Backbone interact. energy: 0.191
local terms energy: -116.599820
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -33.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -359.723522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.723522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.723522 (E_RNA)
where:
Base-Base interactions energy: -247.358
where: short stacking energy: -101.202
Base-Backbone interact. energy: 0.073
local terms energy: -112.438308
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -34.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -356.219363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.219363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.219363 (E_RNA)
where:
Base-Base interactions energy: -240.233
where: short stacking energy: -94.149
Base-Backbone interact. energy: -0.002
local terms energy: -115.984437
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -33.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -337.859283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.859283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.859283 (E_RNA)
where:
Base-Base interactions energy: -233.724
where: short stacking energy: -97.817
Base-Backbone interact. energy: -0.003
local terms energy: -104.131869
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -337.767159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.767159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.767159 (E_RNA)
where:
Base-Base interactions energy: -230.958
where: short stacking energy: -86.310
Base-Backbone interact. energy: -0.006
local terms energy: -106.803552
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -34.329
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: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -320.016110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.016110 (E_RNA)
where:
Base-Base interactions energy: -221.992
where: short stacking energy: -84.052
Base-Backbone interact. energy: -0.160
local terms energy: -97.864507
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -26.354
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -280.204678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.204678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.204678 (E_RNA)
where:
Base-Base interactions energy: -192.425
where: short stacking energy: -77.645
Base-Backbone interact. energy: 0.044
local terms energy: -87.823985
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -101.079471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.079471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.079471 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -32.560
Base-Backbone interact. energy: 0.278
local terms energy: -59.297270
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: 4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -100.422854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.422854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.422854 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.038
local terms energy: -66.793290
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -91.361945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.361945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.361945 (E_RNA)
where:
Base-Base interactions energy: -15.425
where: short stacking energy: -10.515
Base-Backbone interact. energy: -0.329
local terms energy: -75.607891
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -361.736589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.736589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.736589 (E_RNA)
where:
Base-Base interactions energy: -248.792
where: short stacking energy: -102.680
Base-Backbone interact. energy: -0.005
local terms energy: -112.939585
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -362.167921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.167921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.167921 (E_RNA)
where:
Base-Base interactions energy: -241.352
where: short stacking energy: -100.581
Base-Backbone interact. energy: -0.008
local terms energy: -120.807682
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -34.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -362.219934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.219934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.219934 (E_RNA)
where:
Base-Base interactions energy: -250.811
where: short stacking energy: -99.452
Base-Backbone interact. energy: -0.001
local terms energy: -111.408393
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -33.044
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -345.190916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.190916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.190916 (E_RNA)
where:
Base-Base interactions energy: -234.460
where: short stacking energy: -95.992
Base-Backbone interact. energy: -0.507
local terms energy: -110.224756
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -34.786
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: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -344.266420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.266420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.266420 (E_RNA)
where:
Base-Base interactions energy: -228.414
where: short stacking energy: -91.594
Base-Backbone interact. energy: -0.020
local terms energy: -115.832708
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -329.011518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.011518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.011518 (E_RNA)
where:
Base-Base interactions energy: -219.640
where: short stacking energy: -90.127
Base-Backbone interact. energy: -0.445
local terms energy: -108.925987
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -32.869
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -285.761719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.761719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.761719 (E_RNA)
where:
Base-Base interactions energy: -198.351
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.109
local terms energy: -87.301560
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -109.361468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.361468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.361468 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.074
local terms energy: -65.058972
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -8.167
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: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -115.454787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.454787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.454787 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.421
local terms energy: -80.749661
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -92.423033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.423033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.423033 (E_RNA)
where:
Base-Base interactions energy: -27.067
where: short stacking energy: -23.254
Base-Backbone interact. energy: -0.291
local terms energy: -65.064757
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -1.915
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: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -359.581899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.581899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.581899 (E_RNA)
where:
Base-Base interactions energy: -245.971
where: short stacking energy: -91.171
Base-Backbone interact. energy: -0.091
local terms energy: -113.519451
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -29.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -355.906477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.906477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.906477 (E_RNA)
where:
Base-Base interactions energy: -236.269
where: short stacking energy: -101.245
Base-Backbone interact. energy: -0.002
local terms energy: -119.636228
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -353.008060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.008060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.008060 (E_RNA)
where:
Base-Base interactions energy: -233.407
where: short stacking energy: -99.988
Base-Backbone interact. energy: -1.496
local terms energy: -118.105478
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -36.453
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: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -344.705650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.705650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.705650 (E_RNA)
where:
Base-Base interactions energy: -230.462
where: short stacking energy: -97.256
Base-Backbone interact. energy: -0.002
local terms energy: -114.240805
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -34.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -319.141013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.141013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.141013 (E_RNA)
where:
Base-Base interactions energy: -209.201
where: short stacking energy: -87.043
Base-Backbone interact. energy: -0.013
local terms energy: -109.926497
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -289.144697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.144697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.144697 (E_RNA)
where:
Base-Base interactions energy: -192.599
where: short stacking energy: -75.367
Base-Backbone interact. energy: -0.162
local terms energy: -96.383329
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -316.853124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.853124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.853124 (E_RNA)
where:
Base-Base interactions energy: -209.402
where: short stacking energy: -78.656
Base-Backbone interact. energy: -0.263
local terms energy: -107.187919
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -116.071596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.071596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.071596 (E_RNA)
where:
Base-Base interactions energy: -41.715
where: short stacking energy: -41.715
Base-Backbone interact. energy: -0.140
local terms energy: -74.217096
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.176
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: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -111.134209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.134209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.134209 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.126
local terms energy: -68.003379
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -94.202860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.202860 (E_RNA)
where:
Base-Base interactions energy: -22.426
where: short stacking energy: -19.913
Base-Backbone interact. energy: -1.231
local terms energy: -70.545718
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -363.554203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.554203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.554203 (E_RNA)
where:
Base-Base interactions energy: -246.499
where: short stacking energy: -106.373
Base-Backbone interact. energy: 0.280
local terms energy: -117.335053
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -37.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -359.667778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.667778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.667778 (E_RNA)
where:
Base-Base interactions energy: -243.843
where: short stacking energy: -93.322
Base-Backbone interact. energy: -0.003
local terms energy: -115.821801
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -351.802489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.802489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.802489 (E_RNA)
where:
Base-Base interactions energy: -246.196
where: short stacking energy: -96.599
Base-Backbone interact. energy: -0.007
local terms energy: -105.599715
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -27.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -335.342759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.342759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.342759 (E_RNA)
where:
Base-Base interactions energy: -224.848
where: short stacking energy: -86.750
Base-Backbone interact. energy: -0.056
local terms energy: -110.438488
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -30.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -315.434342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.434342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.434342 (E_RNA)
where:
Base-Base interactions energy: -215.861
where: short stacking energy: -83.283
Base-Backbone interact. energy: -0.051
local terms energy: -99.522737
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -306.122247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.122247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.122247 (E_RNA)
where:
Base-Base interactions energy: -206.055
where: short stacking energy: -84.769
Base-Backbone interact. energy: -0.772
local terms energy: -99.295071
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -328.455211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.455211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.455211 (E_RNA)
where:
Base-Base interactions energy: -224.748
where: short stacking energy: -83.675
Base-Backbone interact. energy: 0.991
local terms energy: -104.697630
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -111.300247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.300247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.300247 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.216
local terms energy: -69.948759
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -99.160217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.160217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.160217 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.225
local terms energy: -69.531629
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -92.846203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.846203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.846203 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -28.601
Base-Backbone interact. energy: -1.022
local terms energy: -56.786870
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: 6.520
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: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -361.462298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.462298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.462298 (E_RNA)
where:
Base-Base interactions energy: -239.227
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.096
local terms energy: -122.139091
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -34.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -360.615818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.615818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.615818 (E_RNA)
where:
Base-Base interactions energy: -244.819
where: short stacking energy: -104.190
Base-Backbone interact. energy: -0.017
local terms energy: -115.779144
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -32.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -354.379917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.379917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.379917 (E_RNA)
where:
Base-Base interactions energy: -244.003
where: short stacking energy: -98.474
Base-Backbone interact. energy: -0.222
local terms energy: -110.155220
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -30.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -327.480800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.480800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.480800 (E_RNA)
where:
Base-Base interactions energy: -225.553
where: short stacking energy: -88.081
Base-Backbone interact. energy: -0.058
local terms energy: -101.868984
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -27.831
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: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -326.565907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.565907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.565907 (E_RNA)
where:
Base-Base interactions energy: -225.122
where: short stacking energy: -86.371
Base-Backbone interact. energy: -0.020
local terms energy: -101.423837
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -336.186411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.186411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.186411 (E_RNA)
where:
Base-Base interactions energy: -230.351
where: short stacking energy: -84.137
Base-Backbone interact. energy: -0.015
local terms energy: -105.820514
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -294.301309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.301309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.301309 (E_RNA)
where:
Base-Base interactions energy: -191.158
where: short stacking energy: -78.862
Base-Backbone interact. energy: 2.181
local terms energy: -105.324298
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -117.274861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.274861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.274861 (E_RNA)
where:
Base-Base interactions energy: -42.911
where: short stacking energy: -42.852
Base-Backbone interact. energy: 0.268
local terms energy: -74.631618
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -122.377725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.377725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.377725 (E_RNA)
where:
Base-Base interactions energy: -44.358
where: short stacking energy: -44.358
Base-Backbone interact. energy: 0.152
local terms energy: -78.172137
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -96.322042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322042 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.495
local terms energy: -59.414988
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: 1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -366.778407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.778407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.778407 (E_RNA)
where:
Base-Base interactions energy: -253.578
where: short stacking energy: -104.720
Base-Backbone interact. energy: -0.142
local terms energy: -113.058049
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -33.288
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: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -361.265905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.265905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.265905 (E_RNA)
where:
Base-Base interactions energy: -238.245
where: short stacking energy: -100.312
Base-Backbone interact. energy: -0.002
local terms energy: -123.019133
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -36.473
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -349.732158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.732158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.732158 (E_RNA)
where:
Base-Base interactions energy: -242.668
where: short stacking energy: -95.133
Base-Backbone interact. energy: 0.582
local terms energy: -107.645928
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -33.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -333.262443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.262443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.262443 (E_RNA)
where:
Base-Base interactions energy: -224.075
where: short stacking energy: -83.388
Base-Backbone interact. energy: -0.610
local terms energy: -108.577447
where:
bonds (distance) C4'-P energy: -21.540
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -29.006
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: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -341.932187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.932187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.932187 (E_RNA)
where:
Base-Base interactions energy: -227.096
where: short stacking energy: -91.183
Base-Backbone interact. energy: -0.001
local terms energy: -114.835079
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -320.296745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.296745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.296745 (E_RNA)
where:
Base-Base interactions energy: -217.718
where: short stacking energy: -77.866
Base-Backbone interact. energy: -0.105
local terms energy: -102.473129
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -279.745725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.745725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.745725 (E_RNA)
where:
Base-Base interactions energy: -184.040
where: short stacking energy: -82.028
Base-Backbone interact. energy: -1.241
local terms energy: -94.464861
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -27.448
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: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -112.936914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.936914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.936914 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -27.235
Base-Backbone interact. energy: -0.300
local terms energy: -77.325976
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -106.128957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128957 (E_RNA)
where:
Base-Base interactions energy: -34.016
where: short stacking energy: -28.752
Base-Backbone interact. energy: -1.082
local terms energy: -71.030776
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -96.927964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927964 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -25.707
Base-Backbone interact. energy: 2.228
local terms energy: -65.497905
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -359.791141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.791141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.791141 (E_RNA)
where:
Base-Base interactions energy: -245.011
where: short stacking energy: -99.727
Base-Backbone interact. energy: -0.017
local terms energy: -114.763870
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -35.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -357.159133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.159133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.159133 (E_RNA)
where:
Base-Base interactions energy: -238.649
where: short stacking energy: -98.004
Base-Backbone interact. energy: -0.002
local terms energy: -118.508577
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -35.172
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -347.743539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.743539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.743539 (E_RNA)
where:
Base-Base interactions energy: -233.952
where: short stacking energy: -96.302
Base-Backbone interact. energy: -0.066
local terms energy: -113.725484
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -29.832
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -328.003130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.003130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.003130 (E_RNA)
where:
Base-Base interactions energy: -218.769
where: short stacking energy: -84.335
Base-Backbone interact. energy: -0.321
local terms energy: -108.913156
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -339.522595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.522595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.522595 (E_RNA)
where:
Base-Base interactions energy: -227.214
where: short stacking energy: -87.468
Base-Backbone interact. energy: -0.024
local terms energy: -112.284153
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -30.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -333.740828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.740828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.740828 (E_RNA)
where:
Base-Base interactions energy: -224.723
where: short stacking energy: -89.275
Base-Backbone interact. energy: -0.012
local terms energy: -109.005939
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -298.740876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.740876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.740876 (E_RNA)
where:
Base-Base interactions energy: -204.275
where: short stacking energy: -79.231
Base-Backbone interact. energy: -0.341
local terms energy: -94.125473
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -115.561364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.561364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.561364 (E_RNA)
where:
Base-Base interactions energy: -52.944
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.123
local terms energy: -62.494965
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -108.387316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.387316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.387316 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -38.577
Base-Backbone interact. energy: -0.222
local terms energy: -62.652663
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -103.394068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.394068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.394068 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -28.623
Base-Backbone interact. energy: 0.733
local terms energy: -72.687033
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -6.378
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: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -362.152653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.152653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.152653 (E_RNA)
where:
Base-Base interactions energy: -244.527
where: short stacking energy: -100.770
Base-Backbone interact. energy: -0.146
local terms energy: -117.479597
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -31.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -358.912885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.912885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.912885 (E_RNA)
where:
Base-Base interactions energy: -241.622
where: short stacking energy: -97.660
Base-Backbone interact. energy: -0.048
local terms energy: -117.242764
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -32.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -361.134057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.134057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.134057 (E_RNA)
where:
Base-Base interactions energy: -254.770
where: short stacking energy: -105.872
Base-Backbone interact. energy: -0.001
local terms energy: -106.363047
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -34.454
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: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -341.098074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.098074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.098074 (E_RNA)
where:
Base-Base interactions energy: -228.933
where: short stacking energy: -89.282
Base-Backbone interact. energy: -0.044
local terms energy: -112.120799
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -33.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -342.701202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.701202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.701202 (E_RNA)
where:
Base-Base interactions energy: -230.098
where: short stacking energy: -87.260
Base-Backbone interact. energy: 0.593
local terms energy: -113.196391
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -351.123882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.123882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.123882 (E_RNA)
where:
Base-Base interactions energy: -239.308
where: short stacking energy: -87.032
Base-Backbone interact. energy: -0.830
local terms energy: -110.986581
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -29.917
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: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -320.813355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.813355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.813355 (E_RNA)
where:
Base-Base interactions energy: -213.397
where: short stacking energy: -78.489
Base-Backbone interact. energy: -0.647
local terms energy: -106.769956
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -29.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -130.050984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.050984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.050984 (E_RNA)
where:
Base-Base interactions energy: -63.379
where: short stacking energy: -26.252
Base-Backbone interact. energy: -0.509
local terms energy: -66.163307
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -99.235992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.235992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.235992 (E_RNA)
where:
Base-Base interactions energy: -38.852
where: short stacking energy: -33.227
Base-Backbone interact. energy: -1.008
local terms energy: -59.376629
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -0.648
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: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -104.173232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173232 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.145
local terms energy: -60.581023
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -361.518916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.518916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.518916 (E_RNA)
where:
Base-Base interactions energy: -249.057
where: short stacking energy: -97.815
Base-Backbone interact. energy: -0.135
local terms energy: -112.327161
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -33.962
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -361.651134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.651134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.651134 (E_RNA)
where:
Base-Base interactions energy: -253.355
where: short stacking energy: -101.455
Base-Backbone interact. energy: -0.003
local terms energy: -108.292618
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -34.654
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -342.547604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.547604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.547604 (E_RNA)
where:
Base-Base interactions energy: -230.688
where: short stacking energy: -94.377
Base-Backbone interact. energy: 1.945
local terms energy: -113.803979
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -30.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -348.816956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.816956 (E_RNA)
where:
Base-Base interactions energy: -249.669
where: short stacking energy: -92.145
Base-Backbone interact. energy: 0.902
local terms energy: -100.049514
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -322.069490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.069490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.069490 (E_RNA)
where:
Base-Base interactions energy: -227.866
where: short stacking energy: -87.051
Base-Backbone interact. energy: -0.078
local terms energy: -94.124714
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -33.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -325.859738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.859738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.859738 (E_RNA)
where:
Base-Base interactions energy: -217.893
where: short stacking energy: -86.310
Base-Backbone interact. energy: -0.261
local terms energy: -107.706137
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -309.350289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.350289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.350289 (E_RNA)
where:
Base-Base interactions energy: -205.637
where: short stacking energy: -76.862
Base-Backbone interact. energy: -0.202
local terms energy: -103.511092
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -111.005510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.005510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.005510 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -30.335
Base-Backbone interact. energy: 0.209
local terms energy: -78.990072
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -6.439
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: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -102.571333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.571333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.571333 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.162
local terms energy: -67.910675
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -92.666500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.666500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.666500 (E_RNA)
where:
Base-Base interactions energy: -29.296
where: short stacking energy: -15.077
Base-Backbone interact. energy: -0.191
local terms energy: -63.179040
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: 5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -357.519013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.519013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.519013 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -94.152
Base-Backbone interact. energy: -0.065
local terms energy: -120.644646
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -352.574131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.574131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.574131 (E_RNA)
where:
Base-Base interactions energy: -238.460
where: short stacking energy: -96.286
Base-Backbone interact. energy: -0.041
local terms energy: -114.072937
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -31.101
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: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -355.795542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.795542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.795542 (E_RNA)
where:
Base-Base interactions energy: -240.627
where: short stacking energy: -98.526
Base-Backbone interact. energy: -0.634
local terms energy: -114.534061
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -33.122
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: 384
Temperature: 1.050000
Total energy: -332.226588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.226588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.226588 (E_RNA)
where:
Base-Base interactions energy: -226.437
where: short stacking energy: -88.456
Base-Backbone interact. energy: -0.082
local terms energy: -105.707777
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -31.438
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: 384
Temperature: 1.100000
Total energy: -327.782246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.782246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.782246 (E_RNA)
where:
Base-Base interactions energy: -228.029
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.171
local terms energy: -99.582362
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -29.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -332.726068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.726068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.726068 (E_RNA)
where:
Base-Base interactions energy: -230.374
where: short stacking energy: -87.501
Base-Backbone interact. energy: -0.110
local terms energy: -102.242287
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -320.053543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.053543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.053543 (E_RNA)
where:
Base-Base interactions energy: -216.411
where: short stacking energy: -85.438
Base-Backbone interact. energy: -0.005
local terms energy: -103.636879
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -29.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -127.206313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.206313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.206313 (E_RNA)
where:
Base-Base interactions energy: -64.501
where: short stacking energy: -38.265
Base-Backbone interact. energy: 1.768
local terms energy: -64.472940
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: 0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -101.309992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.309992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.309992 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -30.535
Base-Backbone interact. energy: 0.275
local terms energy: -69.216682
where:
bonds (distance) C4'-P energy: -23.761
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -119.891597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.891597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.891597 (E_RNA)
where:
Base-Base interactions energy: -55.643
where: short stacking energy: -22.651
Base-Backbone interact. energy: -0.211
local terms energy: -64.037244
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -357.002627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.002627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.002627 (E_RNA)
where:
Base-Base interactions energy: -245.283
where: short stacking energy: -103.814
Base-Backbone interact. energy: -0.202
local terms energy: -111.518131
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -33.729
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: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -356.911734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.911734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.911734 (E_RNA)
where:
Base-Base interactions energy: -239.754
where: short stacking energy: -99.875
Base-Backbone interact. energy: 0.992
local terms energy: -118.149786
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -31.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -353.788312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.788312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.788312 (E_RNA)
where:
Base-Base interactions energy: -241.371
where: short stacking energy: -92.142
Base-Backbone interact. energy: -0.102
local terms energy: -112.315305
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -29.776
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: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -348.051596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.051596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.051596 (E_RNA)
where:
Base-Base interactions energy: -235.490
where: short stacking energy: -96.519
Base-Backbone interact. energy: -0.158
local terms energy: -112.403239
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -31.731
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -337.014280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.014280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.014280 (E_RNA)
where:
Base-Base interactions energy: -226.560
where: short stacking energy: -92.324
Base-Backbone interact. energy: -0.002
local terms energy: -110.452338
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -31.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -318.478524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.478524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.478524 (E_RNA)
where:
Base-Base interactions energy: -216.684
where: short stacking energy: -79.421
Base-Backbone interact. energy: -0.118
local terms energy: -101.676118
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -314.652628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.652628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.652628 (E_RNA)
where:
Base-Base interactions energy: -218.156
where: short stacking energy: -85.887
Base-Backbone interact. energy: -0.220
local terms energy: -96.276116
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -31.846
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: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -106.256827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.256827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.256827 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.060
local terms energy: -67.756486
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -118.103424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.103424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.103424 (E_RNA)
where:
Base-Base interactions energy: -57.149
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.962
local terms energy: -59.991641
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -3.054
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: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -111.243006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.243006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.243006 (E_RNA)
where:
Base-Base interactions energy: -55.429
where: short stacking energy: -23.207
Base-Backbone interact. energy: 0.727
local terms energy: -56.541135
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -1.514
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: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -367.596455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.596455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.596455 (E_RNA)
where:
Base-Base interactions energy: -246.207
where: short stacking energy: -107.840
Base-Backbone interact. energy: -0.001
local terms energy: -121.388460
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -35.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -359.669271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.669271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.669271 (E_RNA)
where:
Base-Base interactions energy: -241.875
where: short stacking energy: -99.746
Base-Backbone interact. energy: -0.655
local terms energy: -117.139603
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -31.081
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: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -355.844789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.844789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.844789 (E_RNA)
where:
Base-Base interactions energy: -245.355
where: short stacking energy: -100.951
Base-Backbone interact. energy: -0.003
local terms energy: -110.486770
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -23.732
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -32.070
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: 386
Temperature: 1.050000
Total energy: -347.591611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.591611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.591611 (E_RNA)
where:
Base-Base interactions energy: -229.494
where: short stacking energy: -104.699
Base-Backbone interact. energy: -0.002
local terms energy: -118.095524
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -34.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -320.085116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.085116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.085116 (E_RNA)
where:
Base-Base interactions energy: -223.452
where: short stacking energy: -76.478
Base-Backbone interact. energy: 0.675
local terms energy: -97.308178
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -24.256
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -327.564933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.564933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.564933 (E_RNA)
where:
Base-Base interactions energy: -218.928
where: short stacking energy: -87.487
Base-Backbone interact. energy: -0.048
local terms energy: -108.589417
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -317.787629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.787629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.787629 (E_RNA)
where:
Base-Base interactions energy: -213.155
where: short stacking energy: -78.039
Base-Backbone interact. energy: -1.277
local terms energy: -103.354944
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -107.396438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.396438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.396438 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -35.791
Base-Backbone interact. energy: -1.707
local terms energy: -68.889865
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -104.263225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.263225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.263225 (E_RNA)
where:
Base-Base interactions energy: -53.103
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.582
local terms energy: -50.578204
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: 3.484
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: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -97.276568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.276568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.276568 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.535
local terms energy: -67.313866
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -360.542062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.542062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.542062 (E_RNA)
where:
Base-Base interactions energy: -239.431
where: short stacking energy: -97.147
Base-Backbone interact. energy: -0.116
local terms energy: -120.994776
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -34.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -371.386385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.386385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.386385 (E_RNA)
where:
Base-Base interactions energy: -259.289
where: short stacking energy: -103.884
Base-Backbone interact. energy: -0.016
local terms energy: -112.081220
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -31.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -353.321264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.321264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.321264 (E_RNA)
where:
Base-Base interactions energy: -234.749
where: short stacking energy: -96.247
Base-Backbone interact. energy: -0.004
local terms energy: -118.567915
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -37.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -327.196996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.196996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.196996 (E_RNA)
where:
Base-Base interactions energy: -215.923
where: short stacking energy: -87.203
Base-Backbone interact. energy: -0.213
local terms energy: -111.060464
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -339.116677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.116677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.116677 (E_RNA)
where:
Base-Base interactions energy: -233.439
where: short stacking energy: -93.246
Base-Backbone interact. energy: -0.045
local terms energy: -105.633325
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -29.757
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: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -336.363842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.363842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.363842 (E_RNA)
where:
Base-Base interactions energy: -225.065
where: short stacking energy: -83.141
Base-Backbone interact. energy: -0.073
local terms energy: -111.225886
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -30.378
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: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -303.656772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.656772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.656772 (E_RNA)
where:
Base-Base interactions energy: -197.357
where: short stacking energy: -84.393
Base-Backbone interact. energy: -0.056
local terms energy: -106.244659
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -211.590662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.590662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590662 (E_RNA)
where:
Base-Base interactions energy: -126.396
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.312
local terms energy: -84.882726
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -93.633333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.633333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.633333 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.338
local terms energy: -61.035261
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -102.927528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927528 (E_RNA)
where:
Base-Base interactions energy: -50.768
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.084
local terms energy: -52.076189
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -11.870
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -363.958444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.958444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.958444 (E_RNA)
where:
Base-Base interactions energy: -246.933
where: short stacking energy: -100.166
Base-Backbone interact. energy: -0.041
local terms energy: -116.984584
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -32.066
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: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -359.661947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.661947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.661947 (E_RNA)
where:
Base-Base interactions energy: -246.048
where: short stacking energy: -101.141
Base-Backbone interact. energy: -0.002
local terms energy: -113.611978
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -34.115
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: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -343.710750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.710750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.710750 (E_RNA)
where:
Base-Base interactions energy: -223.848
where: short stacking energy: -92.574
Base-Backbone interact. energy: -0.017
local terms energy: -119.845760
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -33.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -343.380764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.380764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.380764 (E_RNA)
where:
Base-Base interactions energy: -240.768
where: short stacking energy: -102.791
Base-Backbone interact. energy: -0.017
local terms energy: -102.595210
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -331.048362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.048362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.048362 (E_RNA)
where:
Base-Base interactions energy: -219.905
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.522
local terms energy: -110.621071
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -332.492810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.492810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.492810 (E_RNA)
where:
Base-Base interactions energy: -226.836
where: short stacking energy: -90.639
Base-Backbone interact. energy: -0.001
local terms energy: -105.656395
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -33.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -314.002417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.002417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.002417 (E_RNA)
where:
Base-Base interactions energy: -208.827
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.102
local terms energy: -105.073665
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -219.197326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197326 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.352
local terms energy: -76.769986
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -99.728662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.728662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.728662 (E_RNA)
where:
Base-Base interactions energy: -24.215
where: short stacking energy: -18.819
Base-Backbone interact. energy: 1.311
local terms energy: -76.823965
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: 2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -99.482848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482848 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.311
local terms energy: -66.621377
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -365.356346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.356346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.356346 (E_RNA)
where:
Base-Base interactions energy: -254.541
where: short stacking energy: -97.365
Base-Backbone interact. energy: 0.666
local terms energy: -111.481249
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -358.094323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.094323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.094323 (E_RNA)
where:
Base-Base interactions energy: -236.149
where: short stacking energy: -103.546
Base-Backbone interact. energy: -0.015
local terms energy: -121.930494
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -34.281
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -351.604586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.604586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.604586 (E_RNA)
where:
Base-Base interactions energy: -231.005
where: short stacking energy: -92.740
Base-Backbone interact. energy: -0.072
local terms energy: -120.527725
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -29.786
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: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -331.190626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.190626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.190626 (E_RNA)
where:
Base-Base interactions energy: -217.198
where: short stacking energy: -92.144
Base-Backbone interact. energy: 0.747
local terms energy: -114.740036
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -30.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -344.836729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.836729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.836729 (E_RNA)
where:
Base-Base interactions energy: -237.021
where: short stacking energy: -93.756
Base-Backbone interact. energy: 0.354
local terms energy: -108.169618
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -29.685
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: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -341.015805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.015805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.015805 (E_RNA)
where:
Base-Base interactions energy: -226.195
where: short stacking energy: -80.793
Base-Backbone interact. energy: -0.029
local terms energy: -114.791072
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -31.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -318.367449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.367449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.367449 (E_RNA)
where:
Base-Base interactions energy: -225.316
where: short stacking energy: -84.664
Base-Backbone interact. energy: 0.094
local terms energy: -93.145086
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -26.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -258.129123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.129123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.129123 (E_RNA)
where:
Base-Base interactions energy: -160.380
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.235
local terms energy: -97.514738
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -95.955240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.955240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.955240 (E_RNA)
where:
Base-Base interactions energy: -26.959
where: short stacking energy: -25.546
Base-Backbone interact. energy: -0.106
local terms energy: -68.891098
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: 0.106
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: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -91.158141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158141 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -24.636
Base-Backbone interact. energy: 0.158
local terms energy: -66.679827
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: 1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -370.223709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.223709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.223709 (E_RNA)
where:
Base-Base interactions energy: -247.334
where: short stacking energy: -107.388
Base-Backbone interact. energy: -0.005
local terms energy: -122.884631
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -34.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -358.649899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.649899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.649899 (E_RNA)
where:
Base-Base interactions energy: -245.250
where: short stacking energy: -99.783
Base-Backbone interact. energy: -0.007
local terms energy: -113.393090
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -31.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -351.718130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.718130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.718130 (E_RNA)
where:
Base-Base interactions energy: -246.884
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.805
local terms energy: -104.029124
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -336.011535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.011535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.011535 (E_RNA)
where:
Base-Base interactions energy: -226.477
where: short stacking energy: -88.141
Base-Backbone interact. energy: -0.025
local terms energy: -109.508815
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -340.370279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.370279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.370279 (E_RNA)
where:
Base-Base interactions energy: -222.974
where: short stacking energy: -97.281
Base-Backbone interact. energy: -0.063
local terms energy: -117.333281
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -33.745
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -316.769975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.769975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.769975 (E_RNA)
where:
Base-Base interactions energy: -221.471
where: short stacking energy: -90.226
Base-Backbone interact. energy: -0.028
local terms energy: -95.270779
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -321.711849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.711849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.711849 (E_RNA)
where:
Base-Base interactions energy: -218.098
where: short stacking energy: -84.713
Base-Backbone interact. energy: -0.048
local terms energy: -103.566317
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -29.939
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: 390
Temperature: 1.250000
Total energy: -256.889005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.889005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.889005 (E_RNA)
where:
Base-Base interactions energy: -170.505
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.442
local terms energy: -85.941781
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -101.821144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.821144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.821144 (E_RNA)
where:
Base-Base interactions energy: -32.049
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.988
local terms energy: -68.784400
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -15.432
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -100.873081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.873081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.873081 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -26.532
Base-Backbone interact. energy: 1.989
local terms energy: -61.981291
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: 1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -362.300883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.300883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.300883 (E_RNA)
where:
Base-Base interactions energy: -246.176
where: short stacking energy: -97.088
Base-Backbone interact. energy: -0.003
local terms energy: -116.121945
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -33.233
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -348.780518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.780518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.780518 (E_RNA)
where:
Base-Base interactions energy: -238.151
where: short stacking energy: -95.514
Base-Backbone interact. energy: -0.015
local terms energy: -110.614275
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -27.232
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: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -353.832062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.832062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.832062 (E_RNA)
where:
Base-Base interactions energy: -232.605
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.092
local terms energy: -121.135092
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -32.684
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: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -361.090415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.090415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.090415 (E_RNA)
where:
Base-Base interactions energy: -240.004
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.006
local terms energy: -121.080874
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -36.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -337.004505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.004505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.004505 (E_RNA)
where:
Base-Base interactions energy: -232.188
where: short stacking energy: -89.425
Base-Backbone interact. energy: -0.000
local terms energy: -104.816182
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -30.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -307.814115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.814115 (E_RNA)
where:
Base-Base interactions energy: -200.042
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.496
local terms energy: -107.275880
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -26.009
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: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -319.895596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.895596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.895596 (E_RNA)
where:
Base-Base interactions energy: -222.836
where: short stacking energy: -88.618
Base-Backbone interact. energy: -0.018
local terms energy: -97.041505
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -286.618764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.618764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.618764 (E_RNA)
where:
Base-Base interactions energy: -186.672
where: short stacking energy: -69.327
Base-Backbone interact. energy: -1.626
local terms energy: -98.320540
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -120.848293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.848293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.848293 (E_RNA)
where:
Base-Base interactions energy: -58.891
where: short stacking energy: -31.083
Base-Backbone interact. energy: -0.264
local terms energy: -61.692871
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -96.289852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.289852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.289852 (E_RNA)
where:
Base-Base interactions energy: -28.637
where: short stacking energy: -22.010
Base-Backbone interact. energy: 0.160
local terms energy: -67.812347
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -15.348
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -359.123642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.123642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.123642 (E_RNA)
where:
Base-Base interactions energy: -238.949
where: short stacking energy: -99.787
Base-Backbone interact. energy: -0.099
local terms energy: -120.076302
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -31.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -341.672396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.672396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.672396 (E_RNA)
where:
Base-Base interactions energy: -235.710
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.024
local terms energy: -105.938304
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -359.784426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.784426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.784426 (E_RNA)
where:
Base-Base interactions energy: -239.306
where: short stacking energy: -98.141
Base-Backbone interact. energy: -0.041
local terms energy: -120.437270
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -33.628
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: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -353.371528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.371528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.371528 (E_RNA)
where:
Base-Base interactions energy: -238.462
where: short stacking energy: -104.449
Base-Backbone interact. energy: -0.406
local terms energy: -114.503707
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -36.007
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: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -347.676083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.676083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.676083 (E_RNA)
where:
Base-Base interactions energy: -239.621
where: short stacking energy: -93.331
Base-Backbone interact. energy: -0.750
local terms energy: -107.304888
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -31.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -310.526646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.526646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.526646 (E_RNA)
where:
Base-Base interactions energy: -207.841
where: short stacking energy: -81.928
Base-Backbone interact. energy: -0.006
local terms energy: -102.678837
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -26.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -316.207282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.207282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.207282 (E_RNA)
where:
Base-Base interactions energy: -217.093
where: short stacking energy: -79.334
Base-Backbone interact. energy: 0.046
local terms energy: -99.159979
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -26.085
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: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -295.433905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.433905 (E_RNA)
where:
Base-Base interactions energy: -207.560
where: short stacking energy: -80.988
Base-Backbone interact. energy: -0.338
local terms energy: -87.535489
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -97.948144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.948144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.948144 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.481
local terms energy: -58.024597
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -96.551904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.551904 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -23.657
Base-Backbone interact. energy: 0.301
local terms energy: -69.010128
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -12.574
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -368.245286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.245286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.245286 (E_RNA)
where:
Base-Base interactions energy: -249.380
where: short stacking energy: -99.550
Base-Backbone interact. energy: -0.001
local terms energy: -118.863956
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -33.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -364.438057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.438057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.438057 (E_RNA)
where:
Base-Base interactions energy: -242.485
where: short stacking energy: -98.951
Base-Backbone interact. energy: 0.350
local terms energy: -122.303201
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -34.178
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: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -350.904099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.904099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.904099 (E_RNA)
where:
Base-Base interactions energy: -234.809
where: short stacking energy: -94.019
Base-Backbone interact. energy: -0.856
local terms energy: -115.239284
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -34.818
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -338.410773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.410773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.410773 (E_RNA)
where:
Base-Base interactions energy: -229.880
where: short stacking energy: -89.201
Base-Backbone interact. energy: -0.080
local terms energy: -108.450197
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -31.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -342.377619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.377619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.377619 (E_RNA)
where:
Base-Base interactions energy: -228.677
where: short stacking energy: -90.957
Base-Backbone interact. energy: -0.507
local terms energy: -113.193453
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -332.238634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.238634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.238634 (E_RNA)
where:
Base-Base interactions energy: -223.798
where: short stacking energy: -87.515
Base-Backbone interact. energy: -0.107
local terms energy: -108.333689
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -30.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -303.311246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.311246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.311246 (E_RNA)
where:
Base-Base interactions energy: -209.689
where: short stacking energy: -81.642
Base-Backbone interact. energy: -0.053
local terms energy: -93.569943
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -294.361807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.361807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.361807 (E_RNA)
where:
Base-Base interactions energy: -196.856
where: short stacking energy: -80.402
Base-Backbone interact. energy: -0.096
local terms energy: -97.409770
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -24.625
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: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -104.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.567942 (E_RNA)
where:
Base-Base interactions energy: -41.926
where: short stacking energy: -25.313
Base-Backbone interact. energy: 0.919
local terms energy: -63.560909
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: 5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -109.177330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.177330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.177330 (E_RNA)
where:
Base-Base interactions energy: -41.918
where: short stacking energy: -35.669
Base-Backbone interact. energy: 0.041
local terms energy: -67.300468
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -5.854
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: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -358.291728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.291728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.291728 (E_RNA)
where:
Base-Base interactions energy: -240.579
where: short stacking energy: -93.708
Base-Backbone interact. energy: -0.003
local terms energy: -117.709564
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -30.078
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: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -358.639711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.639711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.639711 (E_RNA)
where:
Base-Base interactions energy: -243.803
where: short stacking energy: -98.797
Base-Backbone interact. energy: -0.054
local terms energy: -114.782522
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -347.832923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.832923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.832923 (E_RNA)
where:
Base-Base interactions energy: -234.782
where: short stacking energy: -96.138
Base-Backbone interact. energy: 0.311
local terms energy: -113.362582
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -33.553
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -336.852507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.852507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.852507 (E_RNA)
where:
Base-Base interactions energy: -224.636
where: short stacking energy: -91.155
Base-Backbone interact. energy: -0.001
local terms energy: -112.215714
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -31.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -334.414961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.414961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.414961 (E_RNA)
where:
Base-Base interactions energy: -226.836
where: short stacking energy: -89.019
Base-Backbone interact. energy: -0.080
local terms energy: -107.499066
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -332.708433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.708433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.708433 (E_RNA)
where:
Base-Base interactions energy: -223.511
where: short stacking energy: -81.569
Base-Backbone interact. energy: -0.065
local terms energy: -109.132747
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -303.072500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.072500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.072500 (E_RNA)
where:
Base-Base interactions energy: -200.736
where: short stacking energy: -81.153
Base-Backbone interact. energy: -0.039
local terms energy: -102.297470
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -28.449
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: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -294.338335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.338335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.338335 (E_RNA)
where:
Base-Base interactions energy: -193.426
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.408
local terms energy: -100.503781
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -28.082
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: 394
Temperature: 1.300000
Total energy: -91.265480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265480 (E_RNA)
where:
Base-Base interactions energy: -29.128
where: short stacking energy: -12.744
Base-Backbone interact. energy: -0.346
local terms energy: -61.791063
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -120.506895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.506895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.506895 (E_RNA)
where:
Base-Base interactions energy: -58.971
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.322
local terms energy: -61.214255
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.339
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: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -365.814792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.814792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.814792 (E_RNA)
where:
Base-Base interactions energy: -243.081
where: short stacking energy: -98.130
Base-Backbone interact. energy: -0.003
local terms energy: -122.730823
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -32.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -354.762738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.762738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.762738 (E_RNA)
where:
Base-Base interactions energy: -241.874
where: short stacking energy: -93.982
Base-Backbone interact. energy: 0.669
local terms energy: -113.557721
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -32.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -347.450431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.450431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.450431 (E_RNA)
where:
Base-Base interactions energy: -233.611
where: short stacking energy: -94.159
Base-Backbone interact. energy: -0.108
local terms energy: -113.731289
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -32.127
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: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -349.813186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.813186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.813186 (E_RNA)
where:
Base-Base interactions energy: -241.467
where: short stacking energy: -91.121
Base-Backbone interact. energy: 1.531
local terms energy: -109.877062
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -35.006
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: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -334.970187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.970187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.970187 (E_RNA)
where:
Base-Base interactions energy: -226.641
where: short stacking energy: -92.908
Base-Backbone interact. energy: -0.053
local terms energy: -108.276357
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -29.394
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: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -335.971526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.971526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.971526 (E_RNA)
where:
Base-Base interactions energy: -227.937
where: short stacking energy: -86.545
Base-Backbone interact. energy: -0.055
local terms energy: -107.980013
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -33.195
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: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -304.347486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.347486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.347486 (E_RNA)
where:
Base-Base interactions energy: -201.632
where: short stacking energy: -75.479
Base-Backbone interact. energy: -0.289
local terms energy: -102.426665
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -23.757
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: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -308.884936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.884936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.884936 (E_RNA)
where:
Base-Base interactions energy: -215.801
where: short stacking energy: -83.817
Base-Backbone interact. energy: -0.014
local terms energy: -93.069978
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -27.227
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -102.396579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.396579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.396579 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -20.782
Base-Backbone interact. energy: -0.455
local terms energy: -65.022800
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: 4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -92.343618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.343618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.343618 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -15.645
Base-Backbone interact. energy: -0.309
local terms energy: -56.428351
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -1.119
tors. eta vs tors. theta energy: 9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -363.696597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.696597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.696597 (E_RNA)
where:
Base-Base interactions energy: -249.450
where: short stacking energy: -102.625
Base-Backbone interact. energy: -0.244
local terms energy: -114.002357
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -33.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -355.468334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.468334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.468334 (E_RNA)
where:
Base-Base interactions energy: -240.834
where: short stacking energy: -98.859
Base-Backbone interact. energy: -0.099
local terms energy: -114.534993
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -31.279
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: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -350.112907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.112907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.112907 (E_RNA)
where:
Base-Base interactions energy: -235.123
where: short stacking energy: -87.721
Base-Backbone interact. energy: -0.062
local terms energy: -114.928052
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -348.532450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.532450 (E_RNA)
where:
Base-Base interactions energy: -240.957
where: short stacking energy: -94.428
Base-Backbone interact. energy: 0.085
local terms energy: -107.660176
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -326.039862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.039862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.039862 (E_RNA)
where:
Base-Base interactions energy: -224.703
where: short stacking energy: -92.074
Base-Backbone interact. energy: -0.002
local terms energy: -101.334462
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -29.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -333.086505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.086505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.086505 (E_RNA)
where:
Base-Base interactions energy: -221.770
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.018
local terms energy: -111.298326
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -30.260
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: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -307.881249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.881249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.881249 (E_RNA)
where:
Base-Base interactions energy: -211.495
where: short stacking energy: -89.035
Base-Backbone interact. energy: -0.002
local terms energy: -96.383455
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -266.312536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.312536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.312536 (E_RNA)
where:
Base-Base interactions energy: -184.448
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.026
local terms energy: -81.838306
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -23.412
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: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -102.346585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.346585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.346585 (E_RNA)
where:
Base-Base interactions energy: -41.940
where: short stacking energy: -34.637
Base-Backbone interact. energy: 1.102
local terms energy: -61.508575
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -6.187
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: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -97.726348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.726348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.726348 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -28.145
Base-Backbone interact. energy: 0.570
local terms energy: -64.664127
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -362.900922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.900922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.900922 (E_RNA)
where:
Base-Base interactions energy: -245.282
where: short stacking energy: -103.757
Base-Backbone interact. energy: -0.004
local terms energy: -117.615323
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -33.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -359.947847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.947847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.947847 (E_RNA)
where:
Base-Base interactions energy: -239.536
where: short stacking energy: -98.256
Base-Backbone interact. energy: -0.001
local terms energy: -120.411541
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -32.522
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: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -350.236723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.236723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.236723 (E_RNA)
where:
Base-Base interactions energy: -243.689
where: short stacking energy: -103.021
Base-Backbone interact. energy: -0.022
local terms energy: -106.525257
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -335.210219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.210219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.210219 (E_RNA)
where:
Base-Base interactions energy: -224.362
where: short stacking energy: -86.556
Base-Backbone interact. energy: -0.170
local terms energy: -110.678029
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -315.526108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526108 (E_RNA)
where:
Base-Base interactions energy: -213.361
where: short stacking energy: -89.990
Base-Backbone interact. energy: -0.186
local terms energy: -101.979275
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -30.767
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -329.598071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.598071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.598071 (E_RNA)
where:
Base-Base interactions energy: -224.631
where: short stacking energy: -88.145
Base-Backbone interact. energy: -0.174
local terms energy: -104.793106
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -26.851
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -321.439031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.439031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.439031 (E_RNA)
where:
Base-Base interactions energy: -218.368
where: short stacking energy: -91.751
Base-Backbone interact. energy: -0.123
local terms energy: -102.948368
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -25.722
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: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -234.992055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.992055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.992055 (E_RNA)
where:
Base-Base interactions energy: -148.030
where: short stacking energy: -65.686
Base-Backbone interact. energy: 4.318
local terms energy: -91.280859
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -16.188
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: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -95.589223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.589223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.589223 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -27.632
Base-Backbone interact. energy: -0.258
local terms energy: -63.389517
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -0.582
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: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -97.540301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.540301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.540301 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -15.521
Base-Backbone interact. energy: -0.210
local terms energy: -65.989397
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: 4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -362.407577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.407577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.407577 (E_RNA)
where:
Base-Base interactions energy: -246.040
where: short stacking energy: -104.758
Base-Backbone interact. energy: -0.119
local terms energy: -116.248172
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -32.473
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -357.700131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.700131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.700131 (E_RNA)
where:
Base-Base interactions energy: -237.969
where: short stacking energy: -93.422
Base-Backbone interact. energy: -0.069
local terms energy: -119.661992
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -34.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -362.978741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.978741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.978741 (E_RNA)
where:
Base-Base interactions energy: -248.359
where: short stacking energy: -100.731
Base-Backbone interact. energy: -0.014
local terms energy: -114.605527
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -30.645
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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -340.547083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.547083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.547083 (E_RNA)
where:
Base-Base interactions energy: -230.355
where: short stacking energy: -98.153
Base-Backbone interact. energy: -0.296
local terms energy: -109.896384
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -31.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -341.894884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.894884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.894884 (E_RNA)
where:
Base-Base interactions energy: -233.455
where: short stacking energy: -92.387
Base-Backbone interact. energy: -0.022
local terms energy: -108.418208
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -32.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -346.216788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.216788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.216788 (E_RNA)
where:
Base-Base interactions energy: -236.911
where: short stacking energy: -102.317
Base-Backbone interact. energy: -0.919
local terms energy: -108.386100
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -30.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -314.158596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.158596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.158596 (E_RNA)
where:
Base-Base interactions energy: -216.119
where: short stacking energy: -90.197
Base-Backbone interact. energy: -0.248
local terms energy: -97.791706
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -27.108
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: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -238.815993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.815993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.815993 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -61.318
Base-Backbone interact. energy: -0.163
local terms energy: -88.430860
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -105.390346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.390346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.390346 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -32.408
Base-Backbone interact. energy: 0.941
local terms energy: -66.739950
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -3.178
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -92.823931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.823931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.823931 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -19.777
Base-Backbone interact. energy: 0.714
local terms energy: -62.547806
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -368.736472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.736472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.736472 (E_RNA)
where:
Base-Base interactions energy: -247.345
where: short stacking energy: -108.987
Base-Backbone interact. energy: -0.059
local terms energy: -121.332518
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -359.179559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.179559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.179559 (E_RNA)
where:
Base-Base interactions energy: -251.769
where: short stacking energy: -97.001
Base-Backbone interact. energy: -0.103
local terms energy: -107.307142
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -36.230
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -345.505355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.505355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.505355 (E_RNA)
where:
Base-Base interactions energy: -229.571
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.033
local terms energy: -115.901733
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -31.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -346.334647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.334647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.334647 (E_RNA)
where:
Base-Base interactions energy: -236.276
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.137
local terms energy: -109.921446
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -33.530
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: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -336.669990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.669990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.669990 (E_RNA)
where:
Base-Base interactions energy: -220.899
where: short stacking energy: -85.018
Base-Backbone interact. energy: -0.238
local terms energy: -115.532441
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -33.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -338.801266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.801266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.801266 (E_RNA)
where:
Base-Base interactions energy: -235.629
where: short stacking energy: -89.667
Base-Backbone interact. energy: -0.009
local terms energy: -103.162719
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -30.483
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: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -325.551682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.551682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.551682 (E_RNA)
where:
Base-Base interactions energy: -222.323
where: short stacking energy: -80.426
Base-Backbone interact. energy: -0.103
local terms energy: -103.125438
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -251.787808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.787808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.787808 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.746
local terms energy: -93.142909
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -110.206676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.206676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.206676 (E_RNA)
where:
Base-Base interactions energy: -38.514
where: short stacking energy: -38.311
Base-Backbone interact. energy: -0.282
local terms energy: -71.410044
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -99.875878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.875878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.875878 (E_RNA)
where:
Base-Base interactions energy: -36.329
where: short stacking energy: -23.179
Base-Backbone interact. energy: -0.106
local terms energy: -63.440108
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: 0.461
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -355.503009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.503009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.503009 (E_RNA)
where:
Base-Base interactions energy: -241.771
where: short stacking energy: -91.864
Base-Backbone interact. energy: -0.022
local terms energy: -113.710399
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -29.451
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: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -358.112727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.112727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.112727 (E_RNA)
where:
Base-Base interactions energy: -243.846
where: short stacking energy: -105.283
Base-Backbone interact. energy: -0.003
local terms energy: -114.263968
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -34.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -351.451953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.451953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.451953 (E_RNA)
where:
Base-Base interactions energy: -235.607
where: short stacking energy: -92.854
Base-Backbone interact. energy: -0.085
local terms energy: -115.760039
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -334.166825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.166825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.166825 (E_RNA)
where:
Base-Base interactions energy: -226.876
where: short stacking energy: -89.718
Base-Backbone interact. energy: -0.155
local terms energy: -107.135613
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -331.023151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.023151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.023151 (E_RNA)
where:
Base-Base interactions energy: -215.080
where: short stacking energy: -87.815
Base-Backbone interact. energy: -0.020
local terms energy: -115.923282
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -26.596
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: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -332.986777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.986777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.986777 (E_RNA)
where:
Base-Base interactions energy: -229.910
where: short stacking energy: -84.615
Base-Backbone interact. energy: 0.335
local terms energy: -103.411100
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -28.290
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -304.074328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.074328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.074328 (E_RNA)
where:
Base-Base interactions energy: -208.375
where: short stacking energy: -81.657
Base-Backbone interact. energy: -0.046
local terms energy: -95.653205
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -30.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -245.245237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.245237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.245237 (E_RNA)
where:
Base-Base interactions energy: -167.879
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.215
local terms energy: -77.151301
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -106.292340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.292340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.292340 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -33.301
Base-Backbone interact. energy: -0.832
local terms energy: -70.488374
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -3.646
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: 400
Temperature: 1.350000
Total energy: -96.954207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.954207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.954207 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -25.779
Base-Backbone interact. energy: -1.293
local terms energy: -63.573195
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -368.231569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.231569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.231569 (E_RNA)
where:
Base-Base interactions energy: -245.100
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.077
local terms energy: -123.053999
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -32.290
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -355.381905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.381905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.381905 (E_RNA)
where:
Base-Base interactions energy: -240.833
where: short stacking energy: -93.172
Base-Backbone interact. energy: -0.036
local terms energy: -114.512714
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -353.534969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.534969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.534969 (E_RNA)
where:
Base-Base interactions energy: -244.992
where: short stacking energy: -104.036
Base-Backbone interact. energy: -0.008
local terms energy: -108.535488
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -17.882
tors. eta vs tors. theta energy: -33.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -335.958840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.958840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.958840 (E_RNA)
where:
Base-Base interactions energy: -230.765
where: short stacking energy: -91.242
Base-Backbone interact. energy: -0.006
local terms energy: -105.188285
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -32.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -326.665031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.665031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.665031 (E_RNA)
where:
Base-Base interactions energy: -227.576
where: short stacking energy: -87.389
Base-Backbone interact. energy: -0.061
local terms energy: -99.027665
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -25.893
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: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -305.957933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.957933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.957933 (E_RNA)
where:
Base-Base interactions energy: -203.925
where: short stacking energy: -92.713
Base-Backbone interact. energy: -0.400
local terms energy: -101.633092
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -28.457
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: 401
Temperature: 1.200000
Total energy: -323.739401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.739401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.739401 (E_RNA)
where:
Base-Base interactions energy: -211.799
where: short stacking energy: -83.789
Base-Backbone interact. energy: -0.004
local terms energy: -111.937249
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -35.331
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: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -235.949525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.949525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.949525 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.331
local terms energy: -87.985383
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -105.308026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.308026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.308026 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.160
local terms energy: -64.776217
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.342
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: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -91.790489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.790489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.790489 (E_RNA)
where:
Base-Base interactions energy: -28.519
where: short stacking energy: -10.522
Base-Backbone interact. energy: -0.176
local terms energy: -63.095231
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -362.273903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.273903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.273903 (E_RNA)
where:
Base-Base interactions energy: -244.959
where: short stacking energy: -99.388
Base-Backbone interact. energy: 0.106
local terms energy: -117.421532
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -32.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -347.756025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.756025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.756025 (E_RNA)
where:
Base-Base interactions energy: -234.449
where: short stacking energy: -99.682
Base-Backbone interact. energy: -0.012
local terms energy: -113.294654
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -31.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -355.404036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.404036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.404036 (E_RNA)
where:
Base-Base interactions energy: -242.737
where: short stacking energy: -98.672
Base-Backbone interact. energy: 1.975
local terms energy: -114.642081
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -352.404360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.404360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.404360 (E_RNA)
where:
Base-Base interactions energy: -236.635
where: short stacking energy: -90.596
Base-Backbone interact. energy: -0.019
local terms energy: -115.750901
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -30.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -331.066388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.066388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.066388 (E_RNA)
where:
Base-Base interactions energy: -225.008
where: short stacking energy: -89.382
Base-Backbone interact. energy: -0.002
local terms energy: -106.055705
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -322.062284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.062284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.062284 (E_RNA)
where:
Base-Base interactions energy: -228.382
where: short stacking energy: -96.529
Base-Backbone interact. energy: -0.007
local terms energy: -93.672785
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -28.376
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: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -313.120163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.120163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.120163 (E_RNA)
where:
Base-Base interactions energy: -208.647
where: short stacking energy: -85.264
Base-Backbone interact. energy: -0.001
local terms energy: -104.471946
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -258.323182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.323182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.323182 (E_RNA)
where:
Base-Base interactions energy: -163.656
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.274
local terms energy: -94.392899
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -96.882816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.882816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.882816 (E_RNA)
where:
Base-Base interactions energy: -27.907
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.302
local terms energy: -68.674032
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -114.437000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.437000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.437000 (E_RNA)
where:
Base-Base interactions energy: -47.302
where: short stacking energy: -38.615
Base-Backbone interact. energy: -0.152
local terms energy: -66.982747
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.256
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: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -363.393484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.393484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.393484 (E_RNA)
where:
Base-Base interactions energy: -240.320
where: short stacking energy: -96.430
Base-Backbone interact. energy: -0.012
local terms energy: -123.061922
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -35.158
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: 403
Temperature: 0.950000
Total energy: -357.683788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.683788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.683788 (E_RNA)
where:
Base-Base interactions energy: -240.419
where: short stacking energy: -97.798
Base-Backbone interact. energy: -0.276
local terms energy: -116.988387
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -31.371
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -340.173431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.173431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.173431 (E_RNA)
where:
Base-Base interactions energy: -228.240
where: short stacking energy: -89.014
Base-Backbone interact. energy: -1.332
local terms energy: -110.601255
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -31.419
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -345.441882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.441882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.441882 (E_RNA)
where:
Base-Base interactions energy: -232.564
where: short stacking energy: -94.193
Base-Backbone interact. energy: 0.686
local terms energy: -113.564100
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -33.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -327.899939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.899939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.899939 (E_RNA)
where:
Base-Base interactions energy: -218.550
where: short stacking energy: -88.408
Base-Backbone interact. energy: -0.156
local terms energy: -109.193754
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -31.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -318.948878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.948878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.948878 (E_RNA)
where:
Base-Base interactions energy: -222.793
where: short stacking energy: -83.677
Base-Backbone interact. energy: 1.811
local terms energy: -97.966322
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -31.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -307.049460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.049460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.049460 (E_RNA)
where:
Base-Base interactions energy: -216.325
where: short stacking energy: -80.945
Base-Backbone interact. energy: -0.057
local terms energy: -90.667841
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -24.403
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: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -252.400315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.400315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.400315 (E_RNA)
where:
Base-Base interactions energy: -172.380
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.210
local terms energy: -79.809839
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -17.531
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: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -108.631477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.631477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.631477 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -33.131
Base-Backbone interact. energy: -1.273
local terms energy: -71.363027
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -98.280026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280026 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -15.014
Base-Backbone interact. energy: -0.237
local terms energy: -62.367253
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -361.380600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.380600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.380600 (E_RNA)
where:
Base-Base interactions energy: -239.229
where: short stacking energy: -95.958
Base-Backbone interact. energy: -0.000
local terms energy: -122.150819
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -34.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -356.662416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.662416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.662416 (E_RNA)
where:
Base-Base interactions energy: -248.997
where: short stacking energy: -104.141
Base-Backbone interact. energy: 0.056
local terms energy: -107.721050
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -32.159
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: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -348.974753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.974753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.974753 (E_RNA)
where:
Base-Base interactions energy: -237.191
where: short stacking energy: -97.235
Base-Backbone interact. energy: -0.007
local terms energy: -111.777094
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -347.860891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.860891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.860891 (E_RNA)
where:
Base-Base interactions energy: -239.799
where: short stacking energy: -103.280
Base-Backbone interact. energy: -0.103
local terms energy: -107.958519
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -32.652
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: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -349.650401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.650401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.650401 (E_RNA)
where:
Base-Base interactions energy: -236.125
where: short stacking energy: -98.411
Base-Backbone interact. energy: -0.100
local terms energy: -113.425481
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -33.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -307.861375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.861375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.861375 (E_RNA)
where:
Base-Base interactions energy: -212.115
where: short stacking energy: -78.730
Base-Backbone interact. energy: -0.464
local terms energy: -95.282157
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -284.151922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.151922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.151922 (E_RNA)
where:
Base-Base interactions energy: -181.068
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.045
local terms energy: -103.038889
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -294.398840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.398840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.398840 (E_RNA)
where:
Base-Base interactions energy: -200.407
where: short stacking energy: -83.133
Base-Backbone interact. energy: -1.500
local terms energy: -92.491698
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -24.296
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -100.854858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854858 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.306
local terms energy: -71.901121
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -90.876037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.876037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.876037 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.107
local terms energy: -66.400843
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -10.206
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -366.666717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.666717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.666717 (E_RNA)
where:
Base-Base interactions energy: -252.734
where: short stacking energy: -107.344
Base-Backbone interact. energy: -0.609
local terms energy: -113.323202
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -33.930
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: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -359.569317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.569317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.569317 (E_RNA)
where:
Base-Base interactions energy: -242.847
where: short stacking energy: -101.224
Base-Backbone interact. energy: -0.031
local terms energy: -116.691789
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -32.748
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: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -343.670541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.670541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.670541 (E_RNA)
where:
Base-Base interactions energy: -237.132
where: short stacking energy: -96.725
Base-Backbone interact. energy: -0.104
local terms energy: -106.434236
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -348.267818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.267818 (E_RNA)
where:
Base-Base interactions energy: -233.460
where: short stacking energy: -93.764
Base-Backbone interact. energy: -0.033
local terms energy: -114.774475
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -336.202762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.202762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.202762 (E_RNA)
where:
Base-Base interactions energy: -226.875
where: short stacking energy: -90.689
Base-Backbone interact. energy: -0.006
local terms energy: -109.321791
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -29.320
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -308.673757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.673757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.673757 (E_RNA)
where:
Base-Base interactions energy: -206.378
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.456
local terms energy: -101.838800
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -311.159581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.159581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.159581 (E_RNA)
where:
Base-Base interactions energy: -206.891
where: short stacking energy: -78.461
Base-Backbone interact. energy: -0.020
local terms energy: -104.248795
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -27.265
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: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -314.660864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.660864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.660864 (E_RNA)
where:
Base-Base interactions energy: -221.917
where: short stacking energy: -86.546
Base-Backbone interact. energy: -0.001
local terms energy: -92.742456
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -31.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -93.455036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455036 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -20.158
Base-Backbone interact. energy: -0.190
local terms energy: -61.037245
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -84.489240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.489240 (E_RNA)
where:
Base-Base interactions energy: -22.420
where: short stacking energy: -21.398
Base-Backbone interact. energy: -0.014
local terms energy: -62.055222
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: 4.817
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: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -364.388878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.388878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.388878 (E_RNA)
where:
Base-Base interactions energy: -244.197
where: short stacking energy: -99.248
Base-Backbone interact. energy: 0.837
local terms energy: -121.029023
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -33.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -361.866353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.866353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.866353 (E_RNA)
where:
Base-Base interactions energy: -256.592
where: short stacking energy: -103.405
Base-Backbone interact. energy: -0.003
local terms energy: -105.270786
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -32.833
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: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -348.253099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.253099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.253099 (E_RNA)
where:
Base-Base interactions energy: -237.864
where: short stacking energy: -100.071
Base-Backbone interact. energy: -0.005
local terms energy: -110.383586
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -32.422
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: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -340.086215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.086215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.086215 (E_RNA)
where:
Base-Base interactions energy: -232.225
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.015
local terms energy: -107.846976
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -316.534920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.534920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.534920 (E_RNA)
where:
Base-Base interactions energy: -217.025
where: short stacking energy: -86.811
Base-Backbone interact. energy: -0.347
local terms energy: -99.163070
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -320.044367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.044367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.044367 (E_RNA)
where:
Base-Base interactions energy: -213.144
where: short stacking energy: -83.821
Base-Backbone interact. energy: 0.217
local terms energy: -107.117529
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -27.585
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: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -321.747839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.747839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.747839 (E_RNA)
where:
Base-Base interactions energy: -220.680
where: short stacking energy: -84.802
Base-Backbone interact. energy: -0.548
local terms energy: -100.519435
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -25.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -290.559630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.559630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.559630 (E_RNA)
where:
Base-Base interactions energy: -196.377
where: short stacking energy: -72.606
Base-Backbone interact. energy: -0.008
local terms energy: -94.174368
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -23.458
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: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -97.965881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965881 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -26.228
Base-Backbone interact. energy: -1.491
local terms energy: -59.238198
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -107.325141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.325141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.325141 (E_RNA)
where:
Base-Base interactions energy: -28.745
where: short stacking energy: -28.745
Base-Backbone interact. energy: -0.466
local terms energy: -78.113780
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -14.418
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: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -369.499740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.499740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.499740 (E_RNA)
where:
Base-Base interactions energy: -255.839
where: short stacking energy: -107.043
Base-Backbone interact. energy: -0.393
local terms energy: -113.267311
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -32.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -335.385691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.385691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.385691 (E_RNA)
where:
Base-Base interactions energy: -217.504
where: short stacking energy: -93.170
Base-Backbone interact. energy: -0.100
local terms energy: -117.781041
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -29.956
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -361.597396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.597396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.597396 (E_RNA)
where:
Base-Base interactions energy: -247.322
where: short stacking energy: -100.532
Base-Backbone interact. energy: -0.001
local terms energy: -114.274306
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -338.669217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.669217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.669217 (E_RNA)
where:
Base-Base interactions energy: -233.065
where: short stacking energy: -95.354
Base-Backbone interact. energy: -0.018
local terms energy: -105.585945
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -337.623181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.623181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.623181 (E_RNA)
where:
Base-Base interactions energy: -224.571
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.633
local terms energy: -112.419384
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -31.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -338.734642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.734642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.734642 (E_RNA)
where:
Base-Base interactions energy: -232.061
where: short stacking energy: -92.562
Base-Backbone interact. energy: -0.156
local terms energy: -106.517176
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -31.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -336.325310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.325310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.325310 (E_RNA)
where:
Base-Base interactions energy: -237.369
where: short stacking energy: -99.361
Base-Backbone interact. energy: -0.874
local terms energy: -98.082503
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -31.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -272.576244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.576244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.576244 (E_RNA)
where:
Base-Base interactions energy: -174.057
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.482
local terms energy: -98.037148
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -115.545957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.545957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.545957 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -33.676
Base-Backbone interact. energy: 1.450
local terms energy: -70.305026
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -104.824972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.824972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.824972 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -31.155
Base-Backbone interact. energy: -0.432
local terms energy: -67.383181
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -358.385537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.385537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.385537 (E_RNA)
where:
Base-Base interactions energy: -242.691
where: short stacking energy: -89.158
Base-Backbone interact. energy: -0.048
local terms energy: -115.646523
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -32.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -352.985670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.985670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.985670 (E_RNA)
where:
Base-Base interactions energy: -239.316
where: short stacking energy: -101.969
Base-Backbone interact. energy: -0.039
local terms energy: -113.631331
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -31.538
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: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -343.839741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.839741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.839741 (E_RNA)
where:
Base-Base interactions energy: -231.304
where: short stacking energy: -98.250
Base-Backbone interact. energy: -0.042
local terms energy: -112.493332
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -32.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -347.337419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.337419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.337419 (E_RNA)
where:
Base-Base interactions energy: -230.466
where: short stacking energy: -96.451
Base-Backbone interact. energy: -0.371
local terms energy: -116.500474
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -32.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -342.616786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.616786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.616786 (E_RNA)
where:
Base-Base interactions energy: -236.888
where: short stacking energy: -93.195
Base-Backbone interact. energy: -0.041
local terms energy: -105.686999
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -31.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -317.989820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.989820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.989820 (E_RNA)
where:
Base-Base interactions energy: -226.561
where: short stacking energy: -79.500
Base-Backbone interact. energy: 1.745
local terms energy: -93.173915
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -26.728
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -245.204204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.204204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.204204 (E_RNA)
where:
Base-Base interactions energy: -157.641
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.245
local terms energy: -87.318270
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -319.776300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.776300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.776300 (E_RNA)
where:
Base-Base interactions energy: -217.317
where: short stacking energy: -88.902
Base-Backbone interact. energy: -1.794
local terms energy: -100.665783
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -28.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -104.403934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.403934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.403934 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.289
local terms energy: -63.837791
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -99.472797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.472797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.472797 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.241
local terms energy: -54.709324
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -4.485
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: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -360.491208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.491208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.491208 (E_RNA)
where:
Base-Base interactions energy: -242.590
where: short stacking energy: -97.908
Base-Backbone interact. energy: -0.195
local terms energy: -117.706277
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -34.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -353.703157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.703157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.703157 (E_RNA)
where:
Base-Base interactions energy: -241.579
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.001
local terms energy: -112.123516
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -32.020
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: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -338.151134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.151134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.151134 (E_RNA)
where:
Base-Base interactions energy: -234.263
where: short stacking energy: -88.206
Base-Backbone interact. energy: 0.850
local terms energy: -104.738450
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -26.730
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: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -349.409121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.409121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.409121 (E_RNA)
where:
Base-Base interactions energy: -240.820
where: short stacking energy: -99.160
Base-Backbone interact. energy: -0.002
local terms energy: -108.586252
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -33.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -343.002580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.002580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.002580 (E_RNA)
where:
Base-Base interactions energy: -238.420
where: short stacking energy: -97.903
Base-Backbone interact. energy: -0.001
local terms energy: -104.581959
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -32.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -261.167940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.167940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.167940 (E_RNA)
where:
Base-Base interactions energy: -163.405
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.181
local terms energy: -97.582438
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -291.540784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.540784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.540784 (E_RNA)
where:
Base-Base interactions energy: -195.508
where: short stacking energy: -78.115
Base-Backbone interact. energy: -0.832
local terms energy: -95.200751
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -25.753
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: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -317.299456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.299456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.299456 (E_RNA)
where:
Base-Base interactions energy: -207.502
where: short stacking energy: -85.380
Base-Backbone interact. energy: -0.038
local terms energy: -109.759930
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -27.217
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: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -99.514486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.514486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.514486 (E_RNA)
where:
Base-Base interactions energy: -48.618
where: short stacking energy: -37.424
Base-Backbone interact. energy: -0.790
local terms energy: -50.106488
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -2.536
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: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -104.443172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.443172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.443172 (E_RNA)
where:
Base-Base interactions energy: -48.416
where: short stacking energy: -36.240
Base-Backbone interact. energy: 0.039
local terms energy: -56.066657
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -2.522
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: 410
Temperature: 0.900000
Total energy: -358.132756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.132756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.132756 (E_RNA)
where:
Base-Base interactions energy: -242.808
where: short stacking energy: -97.930
Base-Backbone interact. energy: -0.156
local terms energy: -115.168614
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -360.412198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.412198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.412198 (E_RNA)
where:
Base-Base interactions energy: -242.026
where: short stacking energy: -96.474
Base-Backbone interact. energy: -0.041
local terms energy: -118.345369
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -24.596
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -34.526
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: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -357.349177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.349177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.349177 (E_RNA)
where:
Base-Base interactions energy: -237.279
where: short stacking energy: -91.731
Base-Backbone interact. energy: -0.021
local terms energy: -120.049449
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -31.518
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: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -337.207273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.207273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.207273 (E_RNA)
where:
Base-Base interactions energy: -228.358
where: short stacking energy: -86.713
Base-Backbone interact. energy: -0.184
local terms energy: -108.665318
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -31.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -273.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.321210 (E_RNA)
where:
Base-Base interactions energy: -177.169
where: short stacking energy: -76.890
Base-Backbone interact. energy: 1.044
local terms energy: -97.196729
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -322.416806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.416806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.416806 (E_RNA)
where:
Base-Base interactions energy: -218.530
where: short stacking energy: -85.894
Base-Backbone interact. energy: -0.301
local terms energy: -103.585915
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -333.003326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.003326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.003326 (E_RNA)
where:
Base-Base interactions energy: -219.059
where: short stacking energy: -91.930
Base-Backbone interact. energy: 0.250
local terms energy: -114.194448
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -31.743
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: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -315.462207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.462207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.462207 (E_RNA)
where:
Base-Base interactions energy: -215.712
where: short stacking energy: -80.691
Base-Backbone interact. energy: 0.021
local terms energy: -99.770989
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -27.801
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: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -100.722148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722148 (E_RNA)
where:
Base-Base interactions energy: -41.107
where: short stacking energy: -27.582
Base-Backbone interact. energy: 0.243
local terms energy: -59.858651
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: 0.878
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -112.547487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.547487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.547487 (E_RNA)
where:
Base-Base interactions energy: -55.929
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.212
local terms energy: -56.406021
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -7.793
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: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -367.929557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.929557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.929557 (E_RNA)
where:
Base-Base interactions energy: -250.216
where: short stacking energy: -105.325
Base-Backbone interact. energy: -1.290
local terms energy: -116.422985
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -34.681
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: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -355.330180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.330180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.330180 (E_RNA)
where:
Base-Base interactions energy: -244.526
where: short stacking energy: -98.583
Base-Backbone interact. energy: -0.574
local terms energy: -110.230136
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -29.179
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: 411
Temperature: 1.000000
Total energy: -344.510970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.510970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.510970 (E_RNA)
where:
Base-Base interactions energy: -229.223
where: short stacking energy: -93.157
Base-Backbone interact. energy: -0.014
local terms energy: -115.274132
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -34.978
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: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -344.567624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.567624 (E_RNA)
where:
Base-Base interactions energy: -240.251
where: short stacking energy: -100.806
Base-Backbone interact. energy: -0.013
local terms energy: -104.304258
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -29.182
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: 411
Temperature: 1.100000
Total energy: -289.355549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.355549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.355549 (E_RNA)
where:
Base-Base interactions energy: -184.688
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.092
local terms energy: -104.575078
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -338.252383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.252383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.252383 (E_RNA)
where:
Base-Base interactions energy: -226.742
where: short stacking energy: -95.206
Base-Backbone interact. energy: -1.055
local terms energy: -110.454952
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -310.759412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.759412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.759412 (E_RNA)
where:
Base-Base interactions energy: -209.560
where: short stacking energy: -79.551
Base-Backbone interact. energy: -0.144
local terms energy: -101.054962
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -24.915
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: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -313.958821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.958821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.958821 (E_RNA)
where:
Base-Base interactions energy: -219.637
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.058
local terms energy: -94.264292
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -24.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -103.210942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.210942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.210942 (E_RNA)
where:
Base-Base interactions energy: -42.386
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.263
local terms energy: -60.561764
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -100.402331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.402331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.402331 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.500
local terms energy: -63.768324
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -12.337
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: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -358.272368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.272368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.272368 (E_RNA)
where:
Base-Base interactions energy: -239.898
where: short stacking energy: -100.145
Base-Backbone interact. energy: -0.005
local terms energy: -118.369455
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -32.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -352.106688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.106688 (E_RNA)
where:
Base-Base interactions energy: -238.834
where: short stacking energy: -95.694
Base-Backbone interact. energy: -0.143
local terms energy: -113.129779
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -34.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -353.615771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.615771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.615771 (E_RNA)
where:
Base-Base interactions energy: -234.113
where: short stacking energy: -96.853
Base-Backbone interact. energy: -0.361
local terms energy: -119.141831
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -34.109
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: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -335.447608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.447608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.447608 (E_RNA)
where:
Base-Base interactions energy: -230.535
where: short stacking energy: -86.038
Base-Backbone interact. energy: -0.104
local terms energy: -104.808653
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -26.337
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: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -337.815699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.815699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.815699 (E_RNA)
where:
Base-Base interactions energy: -237.953
where: short stacking energy: -101.081
Base-Backbone interact. energy: -0.051
local terms energy: -99.812269
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -31.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -291.482042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.482042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.482042 (E_RNA)
where:
Base-Base interactions energy: -195.557
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.590
local terms energy: -95.334923
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -317.985274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.985274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.985274 (E_RNA)
where:
Base-Base interactions energy: -227.592
where: short stacking energy: -88.872
Base-Backbone interact. energy: -0.026
local terms energy: -90.366423
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -28.220
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -308.704784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.704784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.704784 (E_RNA)
where:
Base-Base interactions energy: -217.944
where: short stacking energy: -82.544
Base-Backbone interact. energy: 0.225
local terms energy: -90.985163
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -106.418169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.418169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.418169 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -24.835
Base-Backbone interact. energy: 1.318
local terms energy: -73.540639
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -8.520
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: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -98.869431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.869431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.869431 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -33.079
Base-Backbone interact. energy: 0.664
local terms energy: -59.820623
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -2.278
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: 413
Temperature: 0.900000
Total energy: -361.821887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.821887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.821887 (E_RNA)
where:
Base-Base interactions energy: -245.770
where: short stacking energy: -102.818
Base-Backbone interact. energy: 1.476
local terms energy: -117.527230
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -360.849010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.849010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.849010 (E_RNA)
where:
Base-Base interactions energy: -247.109
where: short stacking energy: -104.966
Base-Backbone interact. energy: -0.000
local terms energy: -113.739907
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -33.564
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: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -353.241741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.241741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.241741 (E_RNA)
where:
Base-Base interactions energy: -241.331
where: short stacking energy: -99.420
Base-Backbone interact. energy: -0.076
local terms energy: -111.834045
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -31.044
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -343.528233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.528233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.528233 (E_RNA)
where:
Base-Base interactions energy: -234.977
where: short stacking energy: -98.183
Base-Backbone interact. energy: 0.609
local terms energy: -109.159908
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -329.569169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.569169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.569169 (E_RNA)
where:
Base-Base interactions energy: -227.459
where: short stacking energy: -88.372
Base-Backbone interact. energy: -0.002
local terms energy: -102.108098
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -30.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -326.139412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.139412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.139412 (E_RNA)
where:
Base-Base interactions energy: -216.158
where: short stacking energy: -78.985
Base-Backbone interact. energy: 0.412
local terms energy: -110.392773
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -31.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -331.993264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.993264 (E_RNA)
where:
Base-Base interactions energy: -228.497
where: short stacking energy: -96.095
Base-Backbone interact. energy: -0.025
local terms energy: -103.471053
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -32.535
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -302.752111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.752111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.752111 (E_RNA)
where:
Base-Base interactions energy: -203.932
where: short stacking energy: -78.706
Base-Backbone interact. energy: 1.139
local terms energy: -99.959348
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -27.105
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -101.820656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.820656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.820656 (E_RNA)
where:
Base-Base interactions energy: -45.428
where: short stacking energy: -38.324
Base-Backbone interact. energy: 1.332
local terms energy: -57.724588
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: 1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -98.842586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.842586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.842586 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -29.016
Base-Backbone interact. energy: -1.198
local terms energy: -65.632341
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -11.578
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: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -359.408681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.408681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.408681 (E_RNA)
where:
Base-Base interactions energy: -248.550
where: short stacking energy: -98.929
Base-Backbone interact. energy: -0.002
local terms energy: -110.856253
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -32.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -361.042159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.042159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.042159 (E_RNA)
where:
Base-Base interactions energy: -240.907
where: short stacking energy: -95.590
Base-Backbone interact. energy: -0.043
local terms energy: -120.091962
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -354.137212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.137212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.137212 (E_RNA)
where:
Base-Base interactions energy: -239.095
where: short stacking energy: -94.287
Base-Backbone interact. energy: -0.008
local terms energy: -115.034234
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -29.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -339.160590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.160590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.160590 (E_RNA)
where:
Base-Base interactions energy: -230.106
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.174
local terms energy: -108.879923
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -29.715
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: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -331.476028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.476028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.476028 (E_RNA)
where:
Base-Base interactions energy: -225.002
where: short stacking energy: -88.381
Base-Backbone interact. energy: -0.083
local terms energy: -106.391799
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -31.252
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -321.001855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.001855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.001855 (E_RNA)
where:
Base-Base interactions energy: -225.237
where: short stacking energy: -87.664
Base-Backbone interact. energy: -0.130
local terms energy: -95.634299
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -29.157
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: 414
Temperature: 1.200000
Total energy: -309.249135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.249135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.249135 (E_RNA)
where:
Base-Base interactions energy: -213.412
where: short stacking energy: -82.512
Base-Backbone interact. energy: -0.011
local terms energy: -95.826018
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -29.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -305.150155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.150155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.150155 (E_RNA)
where:
Base-Base interactions energy: -210.686
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.145
local terms energy: -94.318861
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -105.691792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.691792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.691792 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -21.614
Base-Backbone interact. energy: 0.537
local terms energy: -63.310494
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: 7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -92.527260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527260 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.538
local terms energy: -54.444196
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.834
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: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -371.005876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.005876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.005876 (E_RNA)
where:
Base-Base interactions energy: -243.297
where: short stacking energy: -103.265
Base-Backbone interact. energy: -0.216
local terms energy: -127.492797
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -35.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -358.680549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.680549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.680549 (E_RNA)
where:
Base-Base interactions energy: -240.063
where: short stacking energy: -94.709
Base-Backbone interact. energy: -0.005
local terms energy: -118.612346
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -33.838
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -350.625319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.625319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.625319 (E_RNA)
where:
Base-Base interactions energy: -234.923
where: short stacking energy: -95.851
Base-Backbone interact. energy: -0.005
local terms energy: -115.697184
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -34.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -348.145004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.145004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.145004 (E_RNA)
where:
Base-Base interactions energy: -233.630
where: short stacking energy: -93.378
Base-Backbone interact. energy: -0.017
local terms energy: -114.498399
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -33.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -333.333305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.333305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.333305 (E_RNA)
where:
Base-Base interactions energy: -228.793
where: short stacking energy: -94.264
Base-Backbone interact. energy: -0.002
local terms energy: -104.538208
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -31.277
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: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -333.588996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.588996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.588996 (E_RNA)
where:
Base-Base interactions energy: -231.097
where: short stacking energy: -92.468
Base-Backbone interact. energy: -0.012
local terms energy: -102.480049
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -33.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -321.652311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.652311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.652311 (E_RNA)
where:
Base-Base interactions energy: -205.766
where: short stacking energy: -78.727
Base-Backbone interact. energy: -0.610
local terms energy: -115.276026
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -31.939
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: 415
Temperature: 1.250000
Total energy: -298.778003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.778003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.778003 (E_RNA)
where:
Base-Base interactions energy: -204.412
where: short stacking energy: -88.317
Base-Backbone interact. energy: -0.283
local terms energy: -94.083564
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -107.104104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.104104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.104104 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -35.566
Base-Backbone interact. energy: 0.885
local terms energy: -72.321856
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -94.623664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.623664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.623664 (E_RNA)
where:
Base-Base interactions energy: -21.446
where: short stacking energy: -20.641
Base-Backbone interact. energy: -0.495
local terms energy: -72.682815
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -369.966999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.966999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.966999 (E_RNA)
where:
Base-Base interactions energy: -254.893
where: short stacking energy: -102.794
Base-Backbone interact. energy: -0.013
local terms energy: -115.060864
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -32.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -352.351698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.351698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.351698 (E_RNA)
where:
Base-Base interactions energy: -237.612
where: short stacking energy: -98.016
Base-Backbone interact. energy: -0.138
local terms energy: -114.601072
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -351.547717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.547717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.547717 (E_RNA)
where:
Base-Base interactions energy: -237.958
where: short stacking energy: -91.584
Base-Backbone interact. energy: -0.394
local terms energy: -113.195957
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -347.296220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.296220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.296220 (E_RNA)
where:
Base-Base interactions energy: -238.146
where: short stacking energy: -97.862
Base-Backbone interact. energy: -0.001
local terms energy: -109.148890
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -31.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -327.073561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.073561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.073561 (E_RNA)
where:
Base-Base interactions energy: -216.078
where: short stacking energy: -85.645
Base-Backbone interact. energy: -0.062
local terms energy: -110.933595
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -29.684
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -335.275064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.275064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.275064 (E_RNA)
where:
Base-Base interactions energy: -232.545
where: short stacking energy: -96.444
Base-Backbone interact. energy: -0.037
local terms energy: -102.693349
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -32.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -284.811494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.811494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.811494 (E_RNA)
where:
Base-Base interactions energy: -188.782
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.032
local terms energy: -95.997345
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -299.184559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.184559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.184559 (E_RNA)
where:
Base-Base interactions energy: -190.083
where: short stacking energy: -76.239
Base-Backbone interact. energy: -0.048
local terms energy: -109.053581
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -29.234
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: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -104.649255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.649255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.649255 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.081
local terms energy: -74.136467
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -92.907644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.907644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.907644 (E_RNA)
where:
Base-Base interactions energy: -32.021
where: short stacking energy: -29.598
Base-Backbone interact. energy: -1.867
local terms energy: -59.018828
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -363.321927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.321927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.321927 (E_RNA)
where:
Base-Base interactions energy: -251.067
where: short stacking energy: -105.648
Base-Backbone interact. energy: 1.393
local terms energy: -113.647748
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -366.694755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.694755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.694755 (E_RNA)
where:
Base-Base interactions energy: -254.053
where: short stacking energy: -109.154
Base-Backbone interact. energy: -0.003
local terms energy: -112.638713
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -33.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -350.966288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.966288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.966288 (E_RNA)
where:
Base-Base interactions energy: -240.103
where: short stacking energy: -102.640
Base-Backbone interact. energy: -0.032
local terms energy: -110.831341
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -346.274925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.274925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.274925 (E_RNA)
where:
Base-Base interactions energy: -232.287
where: short stacking energy: -92.365
Base-Backbone interact. energy: -1.202
local terms energy: -112.785994
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -34.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -320.568511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.568511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.568511 (E_RNA)
where:
Base-Base interactions energy: -213.685
where: short stacking energy: -82.649
Base-Backbone interact. energy: -0.087
local terms energy: -106.796996
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -334.597371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.597371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.597371 (E_RNA)
where:
Base-Base interactions energy: -218.969
where: short stacking energy: -87.340
Base-Backbone interact. energy: 1.761
local terms energy: -117.388463
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -296.156699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.156699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.156699 (E_RNA)
where:
Base-Base interactions energy: -195.634
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.006
local terms energy: -100.517063
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -292.840130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.840130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.840130 (E_RNA)
where:
Base-Base interactions energy: -203.937
where: short stacking energy: -78.089
Base-Backbone interact. energy: -0.179
local terms energy: -88.723613
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -99.210173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210173 (E_RNA)
where:
Base-Base interactions energy: -24.659
where: short stacking energy: -23.833
Base-Backbone interact. energy: -0.976
local terms energy: -73.574834
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 0.782
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: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -94.145081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145081 (E_RNA)
where:
Base-Base interactions energy: -17.385
where: short stacking energy: -17.385
Base-Backbone interact. energy: 1.828
local terms energy: -78.587194
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -367.944897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.944897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.944897 (E_RNA)
where:
Base-Base interactions energy: -245.033
where: short stacking energy: -101.054
Base-Backbone interact. energy: -0.355
local terms energy: -122.556842
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -33.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -354.395284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.395284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.395284 (E_RNA)
where:
Base-Base interactions energy: -235.411
where: short stacking energy: -95.461
Base-Backbone interact. energy: 1.204
local terms energy: -120.188744
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -343.540231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.540231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.540231 (E_RNA)
where:
Base-Base interactions energy: -237.463
where: short stacking energy: -96.152
Base-Backbone interact. energy: -1.401
local terms energy: -104.676559
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -347.278713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.278713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.278713 (E_RNA)
where:
Base-Base interactions energy: -232.383
where: short stacking energy: -91.438
Base-Backbone interact. energy: 0.005
local terms energy: -114.900808
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -31.516
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: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -345.878878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.878878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.878878 (E_RNA)
where:
Base-Base interactions energy: -232.086
where: short stacking energy: -93.780
Base-Backbone interact. energy: -0.666
local terms energy: -113.126645
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -29.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -323.272720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.272720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.272720 (E_RNA)
where:
Base-Base interactions energy: -218.569
where: short stacking energy: -81.333
Base-Backbone interact. energy: -0.093
local terms energy: -104.610754
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -25.695
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: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -307.867407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.867407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.867407 (E_RNA)
where:
Base-Base interactions energy: -210.632
where: short stacking energy: -73.892
Base-Backbone interact. energy: -0.065
local terms energy: -97.169701
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -299.980387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.980387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.980387 (E_RNA)
where:
Base-Base interactions energy: -205.824
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.198
local terms energy: -93.957832
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -24.196
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: 418
Temperature: 1.300000
Total energy: -107.118573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.118573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.118573 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.152
local terms energy: -56.474509
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: 3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -99.687945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687945 (E_RNA)
where:
Base-Base interactions energy: -22.811
where: short stacking energy: -19.426
Base-Backbone interact. energy: -0.115
local terms energy: -76.762092
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -10.936
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: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -365.601083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.601083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.601083 (E_RNA)
where:
Base-Base interactions energy: -251.645
where: short stacking energy: -104.751
Base-Backbone interact. energy: -1.056
local terms energy: -112.899384
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -33.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -352.557897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.557897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.557897 (E_RNA)
where:
Base-Base interactions energy: -247.146
where: short stacking energy: -98.293
Base-Backbone interact. energy: -0.044
local terms energy: -105.367814
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -33.458
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -357.109747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.109747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.109747 (E_RNA)
where:
Base-Base interactions energy: -237.568
where: short stacking energy: -100.797
Base-Backbone interact. energy: -0.010
local terms energy: -119.531121
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -33.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -354.867281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.867281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.867281 (E_RNA)
where:
Base-Base interactions energy: -241.437
where: short stacking energy: -95.245
Base-Backbone interact. energy: -0.066
local terms energy: -113.364504
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -30.399
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: 419
Temperature: 1.100000
Total energy: -335.572452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.572452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.572452 (E_RNA)
where:
Base-Base interactions energy: -223.387
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.010
local terms energy: -112.175664
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -32.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -332.620001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.620001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.620001 (E_RNA)
where:
Base-Base interactions energy: -228.904
where: short stacking energy: -87.938
Base-Backbone interact. energy: -0.122
local terms energy: -103.594371
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -23.096
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -304.249178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.249178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.249178 (E_RNA)
where:
Base-Base interactions energy: -205.038
where: short stacking energy: -81.334
Base-Backbone interact. energy: -0.194
local terms energy: -99.016695
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -29.738
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: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -300.953062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.953062 (E_RNA)
where:
Base-Base interactions energy: -200.760
where: short stacking energy: -81.537
Base-Backbone interact. energy: 0.127
local terms energy: -100.320339
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -27.756
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: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -103.003939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.003939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.003939 (E_RNA)
where:
Base-Base interactions energy: -43.079
where: short stacking energy: -23.019
Base-Backbone interact. energy: 2.004
local terms energy: -61.928748
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: 4.326
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: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -93.279358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279358 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.349
local terms energy: -63.086632
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -363.128899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.128899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.128899 (E_RNA)
where:
Base-Base interactions energy: -247.734
where: short stacking energy: -99.571
Base-Backbone interact. energy: -0.146
local terms energy: -115.248891
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -32.130
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: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -352.067179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.067179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.067179 (E_RNA)
where:
Base-Base interactions energy: -240.781
where: short stacking energy: -94.949
Base-Backbone interact. energy: -0.089
local terms energy: -111.196282
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -32.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -344.589473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.589473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.589473 (E_RNA)
where:
Base-Base interactions energy: -233.979
where: short stacking energy: -88.695
Base-Backbone interact. energy: -0.061
local terms energy: -110.549421
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -31.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -331.310631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.310631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.310631 (E_RNA)
where:
Base-Base interactions energy: -225.550
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.004
local terms energy: -105.755738
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -29.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -331.903649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.903649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.903649 (E_RNA)
where:
Base-Base interactions energy: -224.474
where: short stacking energy: -91.697
Base-Backbone interact. energy: -0.193
local terms energy: -107.236050
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -31.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -334.430174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.430174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.430174 (E_RNA)
where:
Base-Base interactions energy: -223.068
where: short stacking energy: -90.515
Base-Backbone interact. energy: -0.003
local terms energy: -111.359445
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -314.505817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.505817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.505817 (E_RNA)
where:
Base-Base interactions energy: -209.951
where: short stacking energy: -86.743
Base-Backbone interact. energy: -0.163
local terms energy: -104.390995
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -27.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -313.904368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.904368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.904368 (E_RNA)
where:
Base-Base interactions energy: -217.375
where: short stacking energy: -90.210
Base-Backbone interact. energy: -0.093
local terms energy: -96.436566
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -109.539016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.539016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.539016 (E_RNA)
where:
Base-Base interactions energy: -36.710
where: short stacking energy: -35.600
Base-Backbone interact. energy: -0.381
local terms energy: -72.447795
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -100.123219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.123219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.123219 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -18.632
Base-Backbone interact. energy: -0.352
local terms energy: -65.244246
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -368.059917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.059917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.059917 (E_RNA)
where:
Base-Base interactions energy: -249.317
where: short stacking energy: -102.378
Base-Backbone interact. energy: -0.240
local terms energy: -118.502531
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -353.576934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.576934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.576934 (E_RNA)
where:
Base-Base interactions energy: -241.535
where: short stacking energy: -102.740
Base-Backbone interact. energy: -0.007
local terms energy: -112.034744
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -35.123
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -356.958249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.958249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.958249 (E_RNA)
where:
Base-Base interactions energy: -239.209
where: short stacking energy: -94.478
Base-Backbone interact. energy: -0.378
local terms energy: -117.370816
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -25.384
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -346.370165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.370165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.370165 (E_RNA)
where:
Base-Base interactions energy: -236.713
where: short stacking energy: -91.296
Base-Backbone interact. energy: -0.056
local terms energy: -109.600660
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -30.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -335.692287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.692287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.692287 (E_RNA)
where:
Base-Base interactions energy: -221.818
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.002
local terms energy: -113.872430
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -31.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -342.345693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.345693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.345693 (E_RNA)
where:
Base-Base interactions energy: -230.577
where: short stacking energy: -91.147
Base-Backbone interact. energy: -0.002
local terms energy: -111.765864
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -310.012240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.012240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.012240 (E_RNA)
where:
Base-Base interactions energy: -205.665
where: short stacking energy: -83.055
Base-Backbone interact. energy: -0.278
local terms energy: -104.069581
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -31.183
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: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -313.763110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.763110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.763110 (E_RNA)
where:
Base-Base interactions energy: -216.448
where: short stacking energy: -83.959
Base-Backbone interact. energy: -0.004
local terms energy: -97.311259
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -31.305
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: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -104.802240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.802240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.802240 (E_RNA)
where:
Base-Base interactions energy: -43.797
where: short stacking energy: -29.449
Base-Backbone interact. energy: -0.260
local terms energy: -60.745138
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -119.896682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.896682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.896682 (E_RNA)
where:
Base-Base interactions energy: -54.965
where: short stacking energy: -33.553
Base-Backbone interact. energy: 0.333
local terms energy: -65.264571
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -362.548358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.548358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.548358 (E_RNA)
where:
Base-Base interactions energy: -238.437
where: short stacking energy: -97.338
Base-Backbone interact. energy: -2.684
local terms energy: -121.427281
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -34.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -361.436367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.436367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.436367 (E_RNA)
where:
Base-Base interactions energy: -249.882
where: short stacking energy: -110.334
Base-Backbone interact. energy: -0.005
local terms energy: -111.548709
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -34.256
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: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -353.995973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.995973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.995973 (E_RNA)
where:
Base-Base interactions energy: -237.757
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.002
local terms energy: -116.236623
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -32.865
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -347.943655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.943655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.943655 (E_RNA)
where:
Base-Base interactions energy: -238.430
where: short stacking energy: -99.110
Base-Backbone interact. energy: 0.192
local terms energy: -109.705815
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -33.657
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: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -334.448291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.448291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.448291 (E_RNA)
where:
Base-Base interactions energy: -235.608
where: short stacking energy: -92.055
Base-Backbone interact. energy: -0.006
local terms energy: -98.833923
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -302.101937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.101937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.101937 (E_RNA)
where:
Base-Base interactions energy: -203.203
where: short stacking energy: -80.940
Base-Backbone interact. energy: -0.182
local terms energy: -98.717181
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -25.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -309.055150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.055150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.055150 (E_RNA)
where:
Base-Base interactions energy: -204.287
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.074
local terms energy: -104.693882
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -28.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -294.873562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.873562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.873562 (E_RNA)
where:
Base-Base interactions energy: -201.729
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.173
local terms energy: -92.971041
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -103.598888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.598888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.598888 (E_RNA)
where:
Base-Base interactions energy: -42.634
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.236
local terms energy: -60.728505
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -4.892
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: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -95.132638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.132638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.132638 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -29.760
Base-Backbone interact. energy: 0.259
local terms energy: -64.699430
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -369.937671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.937671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.937671 (E_RNA)
where:
Base-Base interactions energy: -256.802
where: short stacking energy: -106.650
Base-Backbone interact. energy: -0.085
local terms energy: -113.050531
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -33.237
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: 423
Temperature: 0.950000
Total energy: -358.803743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.803743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.803743 (E_RNA)
where:
Base-Base interactions energy: -244.617
where: short stacking energy: -102.103
Base-Backbone interact. energy: -0.015
local terms energy: -114.172033
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -32.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -349.885953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.885953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.885953 (E_RNA)
where:
Base-Base interactions energy: -239.663
where: short stacking energy: -91.920
Base-Backbone interact. energy: -0.032
local terms energy: -110.191182
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -32.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -343.955969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.955969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955969 (E_RNA)
where:
Base-Base interactions energy: -238.864
where: short stacking energy: -94.958
Base-Backbone interact. energy: -0.140
local terms energy: -104.951919
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -31.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -341.107631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.107631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.107631 (E_RNA)
where:
Base-Base interactions energy: -232.686
where: short stacking energy: -88.282
Base-Backbone interact. energy: -0.135
local terms energy: -108.286948
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -31.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -325.866991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.866991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.866991 (E_RNA)
where:
Base-Base interactions energy: -230.214
where: short stacking energy: -92.023
Base-Backbone interact. energy: -0.073
local terms energy: -95.579931
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -31.694
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: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -333.088277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.088277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.088277 (E_RNA)
where:
Base-Base interactions energy: -231.745
where: short stacking energy: -86.711
Base-Backbone interact. energy: -0.041
local terms energy: -101.301996
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -312.453085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.453085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.453085 (E_RNA)
where:
Base-Base interactions energy: -210.750
where: short stacking energy: -76.625
Base-Backbone interact. energy: -0.076
local terms energy: -101.627443
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -23.943
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: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -97.939335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939335 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -30.949
Base-Backbone interact. energy: -1.820
local terms energy: -60.793018
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -9.425
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: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -91.298072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298072 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -17.898
Base-Backbone interact. energy: 4.118
local terms energy: -62.265245
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: 4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -364.691387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.691387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.691387 (E_RNA)
where:
Base-Base interactions energy: -251.059
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.626
local terms energy: -113.006585
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -356.171119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.171119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.171119 (E_RNA)
where:
Base-Base interactions energy: -240.244
where: short stacking energy: -104.053
Base-Backbone interact. energy: -0.002
local terms energy: -115.925294
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -31.416
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: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -340.216724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.216724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.216724 (E_RNA)
where:
Base-Base interactions energy: -235.236
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.033
local terms energy: -104.947972
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -355.871338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.871338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.871338 (E_RNA)
where:
Base-Base interactions energy: -242.113
where: short stacking energy: -102.127
Base-Backbone interact. energy: -0.004
local terms energy: -113.754589
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -337.786370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.786370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.786370 (E_RNA)
where:
Base-Base interactions energy: -233.275
where: short stacking energy: -94.116
Base-Backbone interact. energy: 2.130
local terms energy: -106.641323
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -32.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -323.694861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.694861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.694861 (E_RNA)
where:
Base-Base interactions energy: -223.003
where: short stacking energy: -90.983
Base-Backbone interact. energy: -0.005
local terms energy: -100.686693
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -313.263349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.263349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.263349 (E_RNA)
where:
Base-Base interactions energy: -212.054
where: short stacking energy: -82.238
Base-Backbone interact. energy: -0.010
local terms energy: -101.199912
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -27.844
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: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -313.760107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.760107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.760107 (E_RNA)
where:
Base-Base interactions energy: -211.060
where: short stacking energy: -91.456
Base-Backbone interact. energy: 1.336
local terms energy: -104.035325
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -32.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -106.838340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.838340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.838340 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.710
local terms energy: -72.047678
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -107.896691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.896691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.896691 (E_RNA)
where:
Base-Base interactions energy: -51.827
where: short stacking energy: -39.460
Base-Backbone interact. energy: -0.813
local terms energy: -55.257515
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -7.976
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: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -356.378614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.378614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.378614 (E_RNA)
where:
Base-Base interactions energy: -245.502
where: short stacking energy: -97.646
Base-Backbone interact. energy: -0.053
local terms energy: -110.824135
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -31.138
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: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -354.884405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.884405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.884405 (E_RNA)
where:
Base-Base interactions energy: -241.474
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.003
local terms energy: -113.406873
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -30.071
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: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -345.667227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.667227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.667227 (E_RNA)
where:
Base-Base interactions energy: -235.081
where: short stacking energy: -88.566
Base-Backbone interact. energy: 1.143
local terms energy: -111.729590
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -31.010
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: 425
Temperature: 1.050000
Total energy: -338.608011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.608011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.608011 (E_RNA)
where:
Base-Base interactions energy: -235.042
where: short stacking energy: -93.974
Base-Backbone interact. energy: -0.000
local terms energy: -103.565507
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -31.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -343.689748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.689748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.689748 (E_RNA)
where:
Base-Base interactions energy: -234.494
where: short stacking energy: -99.673
Base-Backbone interact. energy: 0.643
local terms energy: -109.838315
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -33.893
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: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -301.463832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.463832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.463832 (E_RNA)
where:
Base-Base interactions energy: -208.522
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.039
local terms energy: -92.903255
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -305.374130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.374130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.374130 (E_RNA)
where:
Base-Base interactions energy: -210.767
where: short stacking energy: -80.126
Base-Backbone interact. energy: 1.042
local terms energy: -95.648717
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -23.952
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: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -302.334688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.334688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.334688 (E_RNA)
where:
Base-Base interactions energy: -213.765
where: short stacking energy: -86.796
Base-Backbone interact. energy: -0.150
local terms energy: -88.419953
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -102.441970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441970 (E_RNA)
where:
Base-Base interactions energy: -46.179
where: short stacking energy: -26.405
Base-Backbone interact. energy: -0.170
local terms energy: -56.092456
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: 5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -101.464082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.464082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.464082 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -27.806
Base-Backbone interact. energy: -0.713
local terms energy: -71.306941
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -358.877819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.877819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.877819 (E_RNA)
where:
Base-Base interactions energy: -241.044
where: short stacking energy: -100.656
Base-Backbone interact. energy: -0.012
local terms energy: -117.822052
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -30.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -349.738488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.738488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.738488 (E_RNA)
where:
Base-Base interactions energy: -236.599
where: short stacking energy: -95.200
Base-Backbone interact. energy: -0.077
local terms energy: -113.061875
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -34.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -353.017964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.017964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.017964 (E_RNA)
where:
Base-Base interactions energy: -243.523
where: short stacking energy: -91.440
Base-Backbone interact. energy: -0.086
local terms energy: -109.408989
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -30.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -339.528599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.528599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.528599 (E_RNA)
where:
Base-Base interactions energy: -226.947
where: short stacking energy: -83.176
Base-Backbone interact. energy: -0.143
local terms energy: -112.438165
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -32.158
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -339.245106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.245106 (E_RNA)
where:
Base-Base interactions energy: -226.967
where: short stacking energy: -86.770
Base-Backbone interact. energy: -0.025
local terms energy: -112.252572
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -29.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -328.832059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.832059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.832059 (E_RNA)
where:
Base-Base interactions energy: -224.119
where: short stacking energy: -91.500
Base-Backbone interact. energy: -0.001
local terms energy: -104.712380
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -309.421561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.421561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.421561 (E_RNA)
where:
Base-Base interactions energy: -211.018
where: short stacking energy: -86.810
Base-Backbone interact. energy: -0.059
local terms energy: -98.343863
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -28.813
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: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -299.299828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.299828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.299828 (E_RNA)
where:
Base-Base interactions energy: -199.964
where: short stacking energy: -75.931
Base-Backbone interact. energy: -0.096
local terms energy: -99.239890
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -98.961431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.961431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.961431 (E_RNA)
where:
Base-Base interactions energy: -25.365
where: short stacking energy: -23.377
Base-Backbone interact. energy: -0.252
local terms energy: -73.344658
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -11.889
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: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -100.466742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.466742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.466742 (E_RNA)
where:
Base-Base interactions energy: -39.643
where: short stacking energy: -27.859
Base-Backbone interact. energy: -0.761
local terms energy: -60.062485
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.468
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: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -361.104713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.104713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.104713 (E_RNA)
where:
Base-Base interactions energy: -237.162
where: short stacking energy: -97.678
Base-Backbone interact. energy: -0.000
local terms energy: -123.942963
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -34.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -363.262348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.262348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.262348 (E_RNA)
where:
Base-Base interactions energy: -246.909
where: short stacking energy: -98.245
Base-Backbone interact. energy: -0.007
local terms energy: -116.346130
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -31.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -346.786319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.786319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.786319 (E_RNA)
where:
Base-Base interactions energy: -239.565
where: short stacking energy: -98.956
Base-Backbone interact. energy: -0.012
local terms energy: -107.208844
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -341.958104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.958104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.958104 (E_RNA)
where:
Base-Base interactions energy: -234.760
where: short stacking energy: -91.937
Base-Backbone interact. energy: -0.004
local terms energy: -107.194595
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -337.454171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.454171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.454171 (E_RNA)
where:
Base-Base interactions energy: -232.471
where: short stacking energy: -98.610
Base-Backbone interact. energy: -0.003
local terms energy: -104.980849
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -33.953
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -318.197112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.197112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.197112 (E_RNA)
where:
Base-Base interactions energy: -217.628
where: short stacking energy: -88.443
Base-Backbone interact. energy: 0.017
local terms energy: -100.586282
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -30.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -320.329579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.329579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.329579 (E_RNA)
where:
Base-Base interactions energy: -218.131
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.118
local terms energy: -102.080543
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -25.518
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -30.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -335.325254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.325254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.325254 (E_RNA)
where:
Base-Base interactions energy: -222.169
where: short stacking energy: -88.336
Base-Backbone interact. energy: 0.904
local terms energy: -114.060327
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -102.367524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.367524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.367524 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -27.609
Base-Backbone interact. energy: -1.213
local terms energy: -57.403967
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -92.068318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.068318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.068318 (E_RNA)
where:
Base-Base interactions energy: -26.443
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.294
local terms energy: -65.331732
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -356.283448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.283448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.283448 (E_RNA)
where:
Base-Base interactions energy: -240.904
where: short stacking energy: -100.013
Base-Backbone interact. energy: -0.003
local terms energy: -115.376912
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -30.655
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: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -362.476908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.476908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.476908 (E_RNA)
where:
Base-Base interactions energy: -244.566
where: short stacking energy: -101.843
Base-Backbone interact. energy: 0.027
local terms energy: -117.938276
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -35.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -337.574488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.574488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.574488 (E_RNA)
where:
Base-Base interactions energy: -230.207
where: short stacking energy: -97.039
Base-Backbone interact. energy: 0.506
local terms energy: -107.874007
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -30.899
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: 428
Temperature: 1.050000
Total energy: -339.807738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.807738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.807738 (E_RNA)
where:
Base-Base interactions energy: -224.611
where: short stacking energy: -93.160
Base-Backbone interact. energy: -1.664
local terms energy: -113.532699
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -33.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -327.348384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.348384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.348384 (E_RNA)
where:
Base-Base interactions energy: -218.635
where: short stacking energy: -92.702
Base-Backbone interact. energy: -1.027
local terms energy: -107.686497
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -27.385
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: 428
Temperature: 1.150000
Total energy: -325.707655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.707655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.707655 (E_RNA)
where:
Base-Base interactions energy: -217.335
where: short stacking energy: -84.574
Base-Backbone interact. energy: 0.222
local terms energy: -108.594658
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -29.892
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: 428
Temperature: 1.200000
Total energy: -330.868846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.868846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.868846 (E_RNA)
where:
Base-Base interactions energy: -223.280
where: short stacking energy: -87.982
Base-Backbone interact. energy: -0.144
local terms energy: -107.444239
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -331.279364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.279364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.279364 (E_RNA)
where:
Base-Base interactions energy: -220.041
where: short stacking energy: -95.448
Base-Backbone interact. energy: -0.013
local terms energy: -111.225255
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -31.655
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: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -96.301436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.301436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.301436 (E_RNA)
where:
Base-Base interactions energy: -38.485
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.412
local terms energy: -57.404314
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -97.770430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.770430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.770430 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -11.748
Base-Backbone interact. energy: -0.273
local terms energy: -68.261405
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -1.134
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: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -370.745733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.745733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.745733 (E_RNA)
where:
Base-Base interactions energy: -245.309
where: short stacking energy: -100.954
Base-Backbone interact. energy: -0.015
local terms energy: -125.422436
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -34.093
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: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -358.797367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.797367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.797367 (E_RNA)
where:
Base-Base interactions energy: -249.333
where: short stacking energy: -104.330
Base-Backbone interact. energy: -0.056
local terms energy: -109.409183
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -344.953629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.953629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.953629 (E_RNA)
where:
Base-Base interactions energy: -229.900
where: short stacking energy: -95.365
Base-Backbone interact. energy: -0.011
local terms energy: -115.042137
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -35.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -343.591625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.591625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.591625 (E_RNA)
where:
Base-Base interactions energy: -224.278
where: short stacking energy: -85.236
Base-Backbone interact. energy: -0.066
local terms energy: -119.247980
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -32.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -343.449565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.449565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.449565 (E_RNA)
where:
Base-Base interactions energy: -231.915
where: short stacking energy: -90.531
Base-Backbone interact. energy: 0.406
local terms energy: -111.940808
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -329.222350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.222350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.222350 (E_RNA)
where:
Base-Base interactions energy: -217.026
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.203
local terms energy: -111.993428
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -31.916
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: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -326.425837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.425837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.425837 (E_RNA)
where:
Base-Base interactions energy: -230.768
where: short stacking energy: -94.402
Base-Backbone interact. energy: -0.066
local terms energy: -95.592206
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -29.604
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: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -307.035671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.035671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.035671 (E_RNA)
where:
Base-Base interactions energy: -208.957
where: short stacking energy: -77.543
Base-Backbone interact. energy: 0.117
local terms energy: -98.196534
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -113.738356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.738356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.738356 (E_RNA)
where:
Base-Base interactions energy: -55.654
where: short stacking energy: -37.002
Base-Backbone interact. energy: 2.665
local terms energy: -60.749240
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.713
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: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -96.064861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.064861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.064861 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -28.100
Base-Backbone interact. energy: 1.218
local terms energy: -50.974048
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: 2.200
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: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -365.599557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.599557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.599557 (E_RNA)
where:
Base-Base interactions energy: -254.655
where: short stacking energy: -103.977
Base-Backbone interact. energy: 0.437
local terms energy: -111.381629
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -28.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -353.394701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.394701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.394701 (E_RNA)
where:
Base-Base interactions energy: -236.772
where: short stacking energy: -98.584
Base-Backbone interact. energy: 0.754
local terms energy: -117.376959
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -356.595752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.595752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.595752 (E_RNA)
where:
Base-Base interactions energy: -237.744
where: short stacking energy: -99.105
Base-Backbone interact. energy: -0.004
local terms energy: -118.847457
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -33.791
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: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -349.809165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.809165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.809165 (E_RNA)
where:
Base-Base interactions energy: -245.622
where: short stacking energy: -98.215
Base-Backbone interact. energy: 1.418
local terms energy: -105.604988
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -31.193
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -339.746458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.746458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.746458 (E_RNA)
where:
Base-Base interactions energy: -235.158
where: short stacking energy: -85.582
Base-Backbone interact. energy: -0.061
local terms energy: -104.527947
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -32.023
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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -316.579772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.579772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.579772 (E_RNA)
where:
Base-Base interactions energy: -219.232
where: short stacking energy: -86.117
Base-Backbone interact. energy: 1.325
local terms energy: -98.673180
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -28.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -312.017694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.017694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.017694 (E_RNA)
where:
Base-Base interactions energy: -205.076
where: short stacking energy: -83.221
Base-Backbone interact. energy: -0.189
local terms energy: -106.752916
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -29.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -296.524921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.524921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.524921 (E_RNA)
where:
Base-Base interactions energy: -196.741
where: short stacking energy: -72.756
Base-Backbone interact. energy: -0.027
local terms energy: -99.757543
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -102.559611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.559611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.559611 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.353
local terms energy: -65.347388
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -4.453
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: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -98.629525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.629525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.629525 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.274
local terms energy: -68.424410
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -367.854735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.854735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.854735 (E_RNA)
where:
Base-Base interactions energy: -250.645
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.052
local terms energy: -117.157819
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -31.731
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: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -359.555134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.555134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.555134 (E_RNA)
where:
Base-Base interactions energy: -248.648
where: short stacking energy: -99.814
Base-Backbone interact. energy: -0.175
local terms energy: -110.731821
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -35.470
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: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -345.503134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.503134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.503134 (E_RNA)
where:
Base-Base interactions energy: -239.110
where: short stacking energy: -99.795
Base-Backbone interact. energy: -0.017
local terms energy: -106.376511
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -30.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -351.536964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.536964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.536964 (E_RNA)
where:
Base-Base interactions energy: -235.352
where: short stacking energy: -102.170
Base-Backbone interact. energy: -0.001
local terms energy: -116.184155
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -32.818
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: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -340.102189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.102189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.102189 (E_RNA)
where:
Base-Base interactions energy: -231.872
where: short stacking energy: -96.564
Base-Backbone interact. energy: -0.011
local terms energy: -108.219395
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -33.492
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: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -330.992010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.992010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.992010 (E_RNA)
where:
Base-Base interactions energy: -214.892
where: short stacking energy: -83.639
Base-Backbone interact. energy: -0.021
local terms energy: -116.078521
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -32.947
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: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -316.878576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.878576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.878576 (E_RNA)
where:
Base-Base interactions energy: -222.840
where: short stacking energy: -88.706
Base-Backbone interact. energy: -0.150
local terms energy: -93.889081
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -26.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -264.673079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.673079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.673079 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.566
local terms energy: -92.096911
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -103.667909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.667909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.667909 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -31.840
Base-Backbone interact. energy: 1.005
local terms energy: -68.109724
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -100.228692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.228692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.228692 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -26.162
Base-Backbone interact. energy: 1.184
local terms energy: -62.595833
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -364.361107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.361107 (E_RNA)
where:
Base-Base interactions energy: -243.513
where: short stacking energy: -107.661
Base-Backbone interact. energy: -1.181
local terms energy: -119.666580
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -35.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -359.968106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.968106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.968106 (E_RNA)
where:
Base-Base interactions energy: -244.531
where: short stacking energy: -91.501
Base-Backbone interact. energy: -0.013
local terms energy: -115.423913
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -30.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -346.772472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.772472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.772472 (E_RNA)
where:
Base-Base interactions energy: -232.027
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.003
local terms energy: -114.741747
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -31.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -346.887455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.887455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.887455 (E_RNA)
where:
Base-Base interactions energy: -236.313
where: short stacking energy: -93.618
Base-Backbone interact. energy: -0.009
local terms energy: -110.565236
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -33.542
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -328.644715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.644715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.644715 (E_RNA)
where:
Base-Base interactions energy: -221.325
where: short stacking energy: -90.894
Base-Backbone interact. energy: 0.454
local terms energy: -107.774179
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -318.610207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.610207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.610207 (E_RNA)
where:
Base-Base interactions energy: -217.051
where: short stacking energy: -84.221
Base-Backbone interact. energy: -0.068
local terms energy: -101.490935
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -26.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -329.466561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.466561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.466561 (E_RNA)
where:
Base-Base interactions energy: -232.164
where: short stacking energy: -93.573
Base-Backbone interact. energy: -0.002
local terms energy: -97.300492
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -258.932408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.932408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.932408 (E_RNA)
where:
Base-Base interactions energy: -173.586
where: short stacking energy: -72.670
Base-Backbone interact. energy: 0.364
local terms energy: -85.710180
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -107.140715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.140715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.140715 (E_RNA)
where:
Base-Base interactions energy: -33.213
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.110
local terms energy: -73.818021
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -91.748060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748060 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -25.944
Base-Backbone interact. energy: 1.292
local terms energy: -66.008767
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -361.567519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.567519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.567519 (E_RNA)
where:
Base-Base interactions energy: -243.406
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.101
local terms energy: -118.060841
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -35.182
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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -360.156137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.156137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.156137 (E_RNA)
where:
Base-Base interactions energy: -253.821
where: short stacking energy: -100.507
Base-Backbone interact. energy: -0.001
local terms energy: -106.334321
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -357.327146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.327146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.327146 (E_RNA)
where:
Base-Base interactions energy: -238.408
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.004
local terms energy: -118.914490
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -33.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -346.365571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.365571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.365571 (E_RNA)
where:
Base-Base interactions energy: -233.815
where: short stacking energy: -88.454
Base-Backbone interact. energy: -0.003
local terms energy: -112.547560
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -334.203011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.203011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.203011 (E_RNA)
where:
Base-Base interactions energy: -231.644
where: short stacking energy: -97.284
Base-Backbone interact. energy: -0.001
local terms energy: -102.557975
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -32.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -326.652508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.652508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.652508 (E_RNA)
where:
Base-Base interactions energy: -225.638
where: short stacking energy: -94.343
Base-Backbone interact. energy: -0.421
local terms energy: -100.592969
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -319.082630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.082630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.082630 (E_RNA)
where:
Base-Base interactions energy: -215.757
where: short stacking energy: -84.724
Base-Backbone interact. energy: -0.095
local terms energy: -103.230631
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -29.755
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: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -265.723434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.723434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.723434 (E_RNA)
where:
Base-Base interactions energy: -180.799
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.059
local terms energy: -84.865762
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -105.112707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.112707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.112707 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.793
local terms energy: -74.190356
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -9.906
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -94.417543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.417543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.417543 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -23.445
Base-Backbone interact. energy: 0.503
local terms energy: -64.793055
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -369.497730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.497730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.497730 (E_RNA)
where:
Base-Base interactions energy: -250.911
where: short stacking energy: -98.586
Base-Backbone interact. energy: -0.399
local terms energy: -118.187078
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -36.093
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: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -356.337225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.337225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.337225 (E_RNA)
where:
Base-Base interactions energy: -245.965
where: short stacking energy: -100.766
Base-Backbone interact. energy: -0.017
local terms energy: -110.355831
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -34.357
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: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -348.365061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.365061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.365061 (E_RNA)
where:
Base-Base interactions energy: -237.243
where: short stacking energy: -87.287
Base-Backbone interact. energy: -0.059
local terms energy: -111.062967
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -30.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -344.819899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.819899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.819899 (E_RNA)
where:
Base-Base interactions energy: -247.022
where: short stacking energy: -96.875
Base-Backbone interact. energy: -0.078
local terms energy: -97.719822
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -30.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -329.749131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.749131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.749131 (E_RNA)
where:
Base-Base interactions energy: -218.103
where: short stacking energy: -78.833
Base-Backbone interact. energy: -0.075
local terms energy: -111.571835
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -29.702
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -329.029456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.029456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.029456 (E_RNA)
where:
Base-Base interactions energy: -238.015
where: short stacking energy: -93.066
Base-Backbone interact. energy: 0.327
local terms energy: -91.341395
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -28.817
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: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -326.873070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.873070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.873070 (E_RNA)
where:
Base-Base interactions energy: -225.915
where: short stacking energy: -89.615
Base-Backbone interact. energy: 0.194
local terms energy: -101.152607
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -30.666
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: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -317.431532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.431532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.431532 (E_RNA)
where:
Base-Base interactions energy: -222.350
where: short stacking energy: -91.884
Base-Backbone interact. energy: -0.095
local terms energy: -94.986595
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -32.138
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: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -103.715878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.715878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.715878 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.124
local terms energy: -68.746082
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -94.762087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.762087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.762087 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -26.469
Base-Backbone interact. energy: -0.223
local terms energy: -58.876381
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: 4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -363.813984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.813984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.813984 (E_RNA)
where:
Base-Base interactions energy: -243.824
where: short stacking energy: -107.637
Base-Backbone interact. energy: -0.093
local terms energy: -119.897572
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -364.458937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.458937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.458937 (E_RNA)
where:
Base-Base interactions energy: -246.355
where: short stacking energy: -96.563
Base-Backbone interact. energy: 0.028
local terms energy: -118.132251
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -35.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -352.640557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.640557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.640557 (E_RNA)
where:
Base-Base interactions energy: -246.083
where: short stacking energy: -97.021
Base-Backbone interact. energy: -0.132
local terms energy: -106.424680
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -26.369
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -30.198
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: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -338.573943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.573943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.573943 (E_RNA)
where:
Base-Base interactions energy: -229.891
where: short stacking energy: -88.234
Base-Backbone interact. energy: 0.055
local terms energy: -108.738256
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -32.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -329.407590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.407590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.407590 (E_RNA)
where:
Base-Base interactions energy: -230.479
where: short stacking energy: -91.616
Base-Backbone interact. energy: -0.137
local terms energy: -98.791534
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -26.476
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: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -323.075022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.075022 (E_RNA)
where:
Base-Base interactions energy: -216.332
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.069
local terms energy: -106.674852
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -28.074
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: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -321.104115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.104115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.104115 (E_RNA)
where:
Base-Base interactions energy: -218.406
where: short stacking energy: -83.377
Base-Backbone interact. energy: -0.173
local terms energy: -102.524564
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -281.489557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.489557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.489557 (E_RNA)
where:
Base-Base interactions energy: -185.875
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.150
local terms energy: -95.463796
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -24.827
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: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -101.150827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.150827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.150827 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -34.232
Base-Backbone interact. energy: -1.722
local terms energy: -64.596553
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -93.271768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.271768 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -22.199
Base-Backbone interact. energy: -0.266
local terms energy: -66.193534
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -359.400263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.400263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.400263 (E_RNA)
where:
Base-Base interactions energy: -243.599
where: short stacking energy: -93.250
Base-Backbone interact. energy: 0.315
local terms energy: -116.115937
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -359.629080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.629080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.629080 (E_RNA)
where:
Base-Base interactions energy: -251.063
where: short stacking energy: -96.091
Base-Backbone interact. energy: 2.529
local terms energy: -111.095199
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -359.364739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.364739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.364739 (E_RNA)
where:
Base-Base interactions energy: -242.308
where: short stacking energy: -102.354
Base-Backbone interact. energy: -1.074
local terms energy: -115.982721
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -35.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -348.380803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.380803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.380803 (E_RNA)
where:
Base-Base interactions energy: -237.449
where: short stacking energy: -93.909
Base-Backbone interact. energy: -0.001
local terms energy: -110.930341
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -333.698286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.698286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.698286 (E_RNA)
where:
Base-Base interactions energy: -229.111
where: short stacking energy: -86.831
Base-Backbone interact. energy: -0.004
local terms energy: -104.582872
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -29.503
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: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -318.699704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.699704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.699704 (E_RNA)
where:
Base-Base interactions energy: -223.030
where: short stacking energy: -83.333
Base-Backbone interact. energy: -0.092
local terms energy: -95.577700
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -293.292408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.292408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.292408 (E_RNA)
where:
Base-Base interactions energy: -204.051
where: short stacking energy: -80.235
Base-Backbone interact. energy: 0.746
local terms energy: -89.987729
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -304.162652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.162652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.162652 (E_RNA)
where:
Base-Base interactions energy: -206.796
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.107
local terms energy: -97.260506
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -30.657
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: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -97.080600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080600 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.729
local terms energy: -62.092523
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -114.287357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.287357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.287357 (E_RNA)
where:
Base-Base interactions energy: -51.996
where: short stacking energy: -25.601
Base-Backbone interact. energy: -0.333
local terms energy: -61.958097
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -10.121
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: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -356.601182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.601182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.601182 (E_RNA)
where:
Base-Base interactions energy: -239.097
where: short stacking energy: -98.572
Base-Backbone interact. energy: -0.042
local terms energy: -117.462800
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -32.564
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -364.997637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.997637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.997637 (E_RNA)
where:
Base-Base interactions energy: -244.675
where: short stacking energy: -100.837
Base-Backbone interact. energy: -0.002
local terms energy: -120.320793
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -35.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -355.206837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.206837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.206837 (E_RNA)
where:
Base-Base interactions energy: -241.261
where: short stacking energy: -97.923
Base-Backbone interact. energy: -0.090
local terms energy: -113.856321
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -27.721
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: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -349.415964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.415964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.415964 (E_RNA)
where:
Base-Base interactions energy: -235.347
where: short stacking energy: -87.009
Base-Backbone interact. energy: -0.043
local terms energy: -114.025663
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -33.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -339.532747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.532747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.532747 (E_RNA)
where:
Base-Base interactions energy: -227.654
where: short stacking energy: -93.569
Base-Backbone interact. energy: -0.002
local terms energy: -111.877041
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -314.953471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.953471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.953471 (E_RNA)
where:
Base-Base interactions energy: -213.758
where: short stacking energy: -89.709
Base-Backbone interact. energy: 1.617
local terms energy: -102.812070
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -325.991996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.991996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.991996 (E_RNA)
where:
Base-Base interactions energy: -223.306
where: short stacking energy: -89.921
Base-Backbone interact. energy: -0.037
local terms energy: -102.649599
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -303.793676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.793676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.793676 (E_RNA)
where:
Base-Base interactions energy: -213.056
where: short stacking energy: -87.058
Base-Backbone interact. energy: 0.931
local terms energy: -91.668703
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -116.258178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.258178 (E_RNA)
where:
Base-Base interactions energy: -59.990
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.456
local terms energy: -55.811662
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -7.262
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: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -103.530659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.530659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.530659 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -19.681
Base-Backbone interact. energy: 1.152
local terms energy: -63.877920
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -367.372024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.372024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.372024 (E_RNA)
where:
Base-Base interactions energy: -252.668
where: short stacking energy: -105.197
Base-Backbone interact. energy: -0.174
local terms energy: -114.529944
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -35.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -358.304836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.304836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.304836 (E_RNA)
where:
Base-Base interactions energy: -246.215
where: short stacking energy: -103.501
Base-Backbone interact. energy: -0.046
local terms energy: -112.044069
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -31.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -342.402611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.402611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.402611 (E_RNA)
where:
Base-Base interactions energy: -233.363
where: short stacking energy: -93.883
Base-Backbone interact. energy: -0.026
local terms energy: -109.014123
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -22.263
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -33.691
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: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -348.161208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.161208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.161208 (E_RNA)
where:
Base-Base interactions energy: -243.266
where: short stacking energy: -103.436
Base-Backbone interact. energy: -0.070
local terms energy: -104.825091
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -32.990
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: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -328.023211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.023211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.023211 (E_RNA)
where:
Base-Base interactions energy: -224.628
where: short stacking energy: -80.802
Base-Backbone interact. energy: 0.033
local terms energy: -103.428473
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -28.274
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: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -318.967203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.967203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.967203 (E_RNA)
where:
Base-Base interactions energy: -215.728
where: short stacking energy: -90.979
Base-Backbone interact. energy: 0.161
local terms energy: -103.401098
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -299.947885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.947885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.947885 (E_RNA)
where:
Base-Base interactions energy: -204.024
where: short stacking energy: -79.884
Base-Backbone interact. energy: -0.047
local terms energy: -95.876076
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -25.046
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -309.496919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.496919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.496919 (E_RNA)
where:
Base-Base interactions energy: -205.929
where: short stacking energy: -87.434
Base-Backbone interact. energy: -0.024
local terms energy: -103.544045
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -27.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -100.242700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.242700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.242700 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -25.328
Base-Backbone interact. energy: -0.308
local terms energy: -70.916981
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -98.511144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.511144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.511144 (E_RNA)
where:
Base-Base interactions energy: -40.747
where: short stacking energy: -35.433
Base-Backbone interact. energy: -1.071
local terms energy: -56.692600
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -0.301
tors. eta vs tors. theta energy: 3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -369.206180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.206180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.206180 (E_RNA)
where:
Base-Base interactions energy: -247.669
where: short stacking energy: -105.194
Base-Backbone interact. energy: -0.001
local terms energy: -121.535789
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -35.364
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: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -358.216993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.216993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.216993 (E_RNA)
where:
Base-Base interactions energy: -244.150
where: short stacking energy: -101.175
Base-Backbone interact. energy: -0.215
local terms energy: -113.851959
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -34.263
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: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -349.799658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.799658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.799658 (E_RNA)
where:
Base-Base interactions energy: -239.361
where: short stacking energy: -99.165
Base-Backbone interact. energy: -0.025
local terms energy: -110.413240
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -32.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -346.427542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.427542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.427542 (E_RNA)
where:
Base-Base interactions energy: -233.740
where: short stacking energy: -98.213
Base-Backbone interact. energy: -0.379
local terms energy: -112.309263
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -35.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -342.170346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.170346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.170346 (E_RNA)
where:
Base-Base interactions energy: -228.978
where: short stacking energy: -103.182
Base-Backbone interact. energy: -0.007
local terms energy: -113.184824
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -327.547113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.547113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.547113 (E_RNA)
where:
Base-Base interactions energy: -223.221
where: short stacking energy: -87.380
Base-Backbone interact. energy: -0.001
local terms energy: -104.324594
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -29.967
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: 439
Temperature: 1.200000
Total energy: -318.483212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.483212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.483212 (E_RNA)
where:
Base-Base interactions energy: -214.265
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.058
local terms energy: -104.160855
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -295.363229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.363229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.363229 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -78.493
Base-Backbone interact. energy: 0.080
local terms energy: -96.287346
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -23.294
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: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -92.558413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558413 (E_RNA)
where:
Base-Base interactions energy: -30.306
where: short stacking energy: -21.396
Base-Backbone interact. energy: 2.836
local terms energy: -65.089036
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.933
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: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -96.211608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.211608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.211608 (E_RNA)
where:
Base-Base interactions energy: -30.017
where: short stacking energy: -22.367
Base-Backbone interact. energy: -0.197
local terms energy: -65.996820
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: 4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -362.535043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.535043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.535043 (E_RNA)
where:
Base-Base interactions energy: -253.170
where: short stacking energy: -103.001
Base-Backbone interact. energy: -0.019
local terms energy: -109.346039
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -358.894295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.894295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.894295 (E_RNA)
where:
Base-Base interactions energy: -245.711
where: short stacking energy: -99.174
Base-Backbone interact. energy: -0.071
local terms energy: -113.112688
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -33.279
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: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -352.921426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.921426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.921426 (E_RNA)
where:
Base-Base interactions energy: -236.117
where: short stacking energy: -94.854
Base-Backbone interact. energy: -0.008
local terms energy: -116.796064
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -33.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -338.760595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.760595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.760595 (E_RNA)
where:
Base-Base interactions energy: -223.471
where: short stacking energy: -88.388
Base-Backbone interact. energy: -0.067
local terms energy: -115.222512
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -31.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -315.768813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.768813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.768813 (E_RNA)
where:
Base-Base interactions energy: -222.978
where: short stacking energy: -95.522
Base-Backbone interact. energy: -0.277
local terms energy: -92.513562
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -26.674
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -336.481186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.481186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.481186 (E_RNA)
where:
Base-Base interactions energy: -230.186
where: short stacking energy: -93.621
Base-Backbone interact. energy: -0.004
local terms energy: -106.290745
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -31.521
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: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -294.125549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.125549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.125549 (E_RNA)
where:
Base-Base interactions energy: -204.509
where: short stacking energy: -76.267
Base-Backbone interact. energy: 0.088
local terms energy: -89.705218
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -303.766504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.766504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.766504 (E_RNA)
where:
Base-Base interactions energy: -194.561
where: short stacking energy: -76.851
Base-Backbone interact. energy: -0.080
local terms energy: -109.125719
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -24.602
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: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -99.135349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.135349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.135349 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.039
local terms energy: -62.553852
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -99.216435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.216435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.216435 (E_RNA)
where:
Base-Base interactions energy: -29.343
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.518
local terms energy: -69.355687
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 1.472
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -364.183458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.183458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.183458 (E_RNA)
where:
Base-Base interactions energy: -244.316
where: short stacking energy: -100.797
Base-Backbone interact. energy: -0.216
local terms energy: -119.651500
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -36.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -362.837629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.837629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.837629 (E_RNA)
where:
Base-Base interactions energy: -244.287
where: short stacking energy: -98.345
Base-Backbone interact. energy: -0.006
local terms energy: -118.544062
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -34.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -357.999838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.999838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.999838 (E_RNA)
where:
Base-Base interactions energy: -239.752
where: short stacking energy: -92.071
Base-Backbone interact. energy: -0.612
local terms energy: -117.635701
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -35.188
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: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -329.658297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.658297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.658297 (E_RNA)
where:
Base-Base interactions energy: -223.296
where: short stacking energy: -91.778
Base-Backbone interact. energy: -0.078
local terms energy: -106.284367
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -320.504593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.504593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.504593 (E_RNA)
where:
Base-Base interactions energy: -226.385
where: short stacking energy: -91.806
Base-Backbone interact. energy: -0.069
local terms energy: -94.051177
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -29.260
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: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -324.401490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.401490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.401490 (E_RNA)
where:
Base-Base interactions energy: -222.099
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.191
local terms energy: -102.111800
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -29.841
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: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -318.624372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.624372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.624372 (E_RNA)
where:
Base-Base interactions energy: -217.161
where: short stacking energy: -89.374
Base-Backbone interact. energy: -0.001
local terms energy: -101.462355
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -34.426
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: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -306.010548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.010548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.010548 (E_RNA)
where:
Base-Base interactions energy: -211.378
where: short stacking energy: -78.753
Base-Backbone interact. energy: -0.040
local terms energy: -94.592799
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -97.229570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229570 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -31.566
Base-Backbone interact. energy: -0.202
local terms energy: -62.068439
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -91.795001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795001 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.363
local terms energy: -54.540593
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -358.514633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.514633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.514633 (E_RNA)
where:
Base-Base interactions energy: -241.509
where: short stacking energy: -99.661
Base-Backbone interact. energy: -0.083
local terms energy: -116.922319
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -33.505
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -354.427956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.427956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.427956 (E_RNA)
where:
Base-Base interactions energy: -241.772
where: short stacking energy: -102.966
Base-Backbone interact. energy: -0.093
local terms energy: -112.562455
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -32.303
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: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -353.879368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.879368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.879368 (E_RNA)
where:
Base-Base interactions energy: -241.601
where: short stacking energy: -100.773
Base-Backbone interact. energy: -0.096
local terms energy: -112.181690
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -342.970843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.970843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.970843 (E_RNA)
where:
Base-Base interactions energy: -234.507
where: short stacking energy: -93.486
Base-Backbone interact. energy: 1.733
local terms energy: -110.196110
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -335.767232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.767232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.767232 (E_RNA)
where:
Base-Base interactions energy: -226.501
where: short stacking energy: -87.448
Base-Backbone interact. energy: -0.150
local terms energy: -109.115753
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -29.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -332.975883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.975883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.975883 (E_RNA)
where:
Base-Base interactions energy: -228.158
where: short stacking energy: -93.873
Base-Backbone interact. energy: -0.005
local terms energy: -104.813074
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -30.078
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: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -299.748050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.748050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.748050 (E_RNA)
where:
Base-Base interactions energy: -210.546
where: short stacking energy: -87.717
Base-Backbone interact. energy: -0.006
local terms energy: -89.195499
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -294.671801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.671801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.671801 (E_RNA)
where:
Base-Base interactions energy: -208.159
where: short stacking energy: -76.645
Base-Backbone interact. energy: -0.008
local terms energy: -86.504695
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -98.843620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.843620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.843620 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -32.364
Base-Backbone interact. energy: 0.528
local terms energy: -64.059999
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -101.324451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.324451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.324451 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -35.440
Base-Backbone interact. energy: 1.637
local terms energy: -67.521685
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -7.262
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: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -365.251195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.251195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.251195 (E_RNA)
where:
Base-Base interactions energy: -252.072
where: short stacking energy: -108.615
Base-Backbone interact. energy: -0.023
local terms energy: -113.156562
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -33.539
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -362.498355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.498355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.498355 (E_RNA)
where:
Base-Base interactions energy: -246.405
where: short stacking energy: -93.860
Base-Backbone interact. energy: -0.396
local terms energy: -115.697508
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -31.849
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -354.703218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.703218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.703218 (E_RNA)
where:
Base-Base interactions energy: -247.933
where: short stacking energy: -104.852
Base-Backbone interact. energy: -0.039
local terms energy: -106.730808
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -344.261907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.261907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.261907 (E_RNA)
where:
Base-Base interactions energy: -230.894
where: short stacking energy: -91.356
Base-Backbone interact. energy: -0.017
local terms energy: -113.350370
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -33.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -330.101900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.101900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.101900 (E_RNA)
where:
Base-Base interactions energy: -230.386
where: short stacking energy: -92.406
Base-Backbone interact. energy: -0.007
local terms energy: -99.709364
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -311.974643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.974643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.974643 (E_RNA)
where:
Base-Base interactions energy: -210.074
where: short stacking energy: -88.986
Base-Backbone interact. energy: -0.218
local terms energy: -101.683047
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -28.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -313.389990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.389990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.389990 (E_RNA)
where:
Base-Base interactions energy: -217.606
where: short stacking energy: -90.467
Base-Backbone interact. energy: -0.019
local terms energy: -95.765419
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -306.752012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.752012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.752012 (E_RNA)
where:
Base-Base interactions energy: -209.585
where: short stacking energy: -82.042
Base-Backbone interact. energy: -0.069
local terms energy: -97.098438
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -105.114653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.114653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.114653 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.793
local terms energy: -73.905825
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -103.444730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.444730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.444730 (E_RNA)
where:
Base-Base interactions energy: -54.410
where: short stacking energy: -25.451
Base-Backbone interact. energy: 0.709
local terms energy: -49.743825
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -363.508499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.508499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.508499 (E_RNA)
where:
Base-Base interactions energy: -244.122
where: short stacking energy: -105.215
Base-Backbone interact. energy: -0.004
local terms energy: -119.382198
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -352.200583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.200583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.200583 (E_RNA)
where:
Base-Base interactions energy: -240.201
where: short stacking energy: -96.944
Base-Backbone interact. energy: 2.232
local terms energy: -114.231193
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -30.066
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: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -348.676429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.676429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.676429 (E_RNA)
where:
Base-Base interactions energy: -235.563
where: short stacking energy: -86.428
Base-Backbone interact. energy: -0.125
local terms energy: -112.988593
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -30.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -349.017475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.017475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.017475 (E_RNA)
where:
Base-Base interactions energy: -238.816
where: short stacking energy: -94.776
Base-Backbone interact. energy: -0.001
local terms energy: -110.200035
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -33.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -336.636574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.636574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.636574 (E_RNA)
where:
Base-Base interactions energy: -226.465
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.156
local terms energy: -110.015873
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -25.001
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -310.724846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.724846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.724846 (E_RNA)
where:
Base-Base interactions energy: -211.468
where: short stacking energy: -81.699
Base-Backbone interact. energy: -0.080
local terms energy: -99.177636
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -316.564945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.564945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.564945 (E_RNA)
where:
Base-Base interactions energy: -217.532
where: short stacking energy: -89.946
Base-Backbone interact. energy: -0.164
local terms energy: -98.868891
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -28.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -302.904222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.904222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.904222 (E_RNA)
where:
Base-Base interactions energy: -215.527
where: short stacking energy: -78.515
Base-Backbone interact. energy: -0.221
local terms energy: -87.156030
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -27.754
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: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -92.936654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.936654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.936654 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -22.262
Base-Backbone interact. energy: -0.522
local terms energy: -66.479605
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -101.031196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.031196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.031196 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -19.190
Base-Backbone interact. energy: 0.334
local terms energy: -66.041129
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -7.078
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: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -359.332496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.332496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.332496 (E_RNA)
where:
Base-Base interactions energy: -247.650
where: short stacking energy: -104.184
Base-Backbone interact. energy: -0.105
local terms energy: -111.578018
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -354.445921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.445921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.445921 (E_RNA)
where:
Base-Base interactions energy: -233.129
where: short stacking energy: -91.620
Base-Backbone interact. energy: -0.004
local terms energy: -121.312925
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -34.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -335.793811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.793811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.793811 (E_RNA)
where:
Base-Base interactions energy: -231.510
where: short stacking energy: -92.679
Base-Backbone interact. energy: 0.154
local terms energy: -104.438745
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -30.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -340.528877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.528877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.528877 (E_RNA)
where:
Base-Base interactions energy: -234.383
where: short stacking energy: -89.413
Base-Backbone interact. energy: -0.116
local terms energy: -106.029874
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -30.557
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: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -340.584238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.584238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.584238 (E_RNA)
where:
Base-Base interactions energy: -229.297
where: short stacking energy: -85.543
Base-Backbone interact. energy: -0.027
local terms energy: -111.260463
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -32.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -325.514689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.514689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.514689 (E_RNA)
where:
Base-Base interactions energy: -226.959
where: short stacking energy: -85.832
Base-Backbone interact. energy: -0.055
local terms energy: -98.500375
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -29.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -301.992899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.992899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.992899 (E_RNA)
where:
Base-Base interactions energy: -210.155
where: short stacking energy: -84.567
Base-Backbone interact. energy: -0.069
local terms energy: -91.769190
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -25.463
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: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -302.020056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.020056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.020056 (E_RNA)
where:
Base-Base interactions energy: -212.810
where: short stacking energy: -84.192
Base-Backbone interact. energy: -0.111
local terms energy: -89.098948
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -100.908673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908673 (E_RNA)
where:
Base-Base interactions energy: -27.863
where: short stacking energy: -23.532
Base-Backbone interact. energy: -0.663
local terms energy: -72.383047
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: 1.447
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: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -91.992020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992020 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -22.169
Base-Backbone interact. energy: -0.124
local terms energy: -60.077931
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: 4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -369.794975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.794975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.794975 (E_RNA)
where:
Base-Base interactions energy: -252.145
where: short stacking energy: -99.404
Base-Backbone interact. energy: -0.006
local terms energy: -117.643369
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -353.856164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.856164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.856164 (E_RNA)
where:
Base-Base interactions energy: -242.076
where: short stacking energy: -101.550
Base-Backbone interact. energy: -0.005
local terms energy: -111.775576
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -357.824740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.824740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.824740 (E_RNA)
where:
Base-Base interactions energy: -240.577
where: short stacking energy: -98.935
Base-Backbone interact. energy: -1.384
local terms energy: -115.863167
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -34.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -329.070858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.070858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.070858 (E_RNA)
where:
Base-Base interactions energy: -224.793
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.063
local terms energy: -104.215019
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -338.551151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.551151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.551151 (E_RNA)
where:
Base-Base interactions energy: -226.336
where: short stacking energy: -93.581
Base-Backbone interact. energy: -0.006
local terms energy: -112.208830
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -31.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -330.578812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.578812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.578812 (E_RNA)
where:
Base-Base interactions energy: -225.582
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.003
local terms energy: -104.993880
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -29.757
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -319.983826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.983826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.983826 (E_RNA)
where:
Base-Base interactions energy: -218.515
where: short stacking energy: -84.630
Base-Backbone interact. energy: -0.006
local terms energy: -101.462434
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -299.231746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.231746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.231746 (E_RNA)
where:
Base-Base interactions energy: -202.414
where: short stacking energy: -76.484
Base-Backbone interact. energy: 0.858
local terms energy: -97.675728
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -25.087
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: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -107.294797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.294797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.294797 (E_RNA)
where:
Base-Base interactions energy: -43.242
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.061
local terms energy: -63.992322
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.791
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: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -98.839465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839465 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -29.622
Base-Backbone interact. energy: 1.379
local terms energy: -62.694269
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -370.857468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.857468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.857468 (E_RNA)
where:
Base-Base interactions energy: -250.944
where: short stacking energy: -97.587
Base-Backbone interact. energy: -0.035
local terms energy: -119.877531
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -33.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -354.536715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.536715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.536715 (E_RNA)
where:
Base-Base interactions energy: -241.218
where: short stacking energy: -93.947
Base-Backbone interact. energy: -0.042
local terms energy: -113.276835
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -30.819
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: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -352.521335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.521335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.521335 (E_RNA)
where:
Base-Base interactions energy: -242.006
where: short stacking energy: -103.787
Base-Backbone interact. energy: -0.025
local terms energy: -110.490344
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -333.568967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.568967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.568967 (E_RNA)
where:
Base-Base interactions energy: -227.114
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.450
local terms energy: -106.004700
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -33.772
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: 447
Temperature: 1.100000
Total energy: -336.761870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.761870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.761870 (E_RNA)
where:
Base-Base interactions energy: -235.831
where: short stacking energy: -91.679
Base-Backbone interact. energy: -1.270
local terms energy: -99.660591
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -31.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -319.305088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.305088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.305088 (E_RNA)
where:
Base-Base interactions energy: -219.945
where: short stacking energy: -86.899
Base-Backbone interact. energy: -0.043
local terms energy: -99.317149
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -314.954299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.954299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.954299 (E_RNA)
where:
Base-Base interactions energy: -221.165
where: short stacking energy: -84.061
Base-Backbone interact. energy: 0.782
local terms energy: -94.571525
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -28.884
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: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -300.226586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.226586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.226586 (E_RNA)
where:
Base-Base interactions energy: -202.884
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.019
local terms energy: -97.324225
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -26.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -97.714705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.714705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.714705 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -29.710
Base-Backbone interact. energy: 1.053
local terms energy: -70.687780
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -10.038
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: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -103.339532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.339532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.339532 (E_RNA)
where:
Base-Base interactions energy: -46.782
where: short stacking energy: -23.409
Base-Backbone interact. energy: -1.010
local terms energy: -55.547109
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -12.554
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: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -374.521974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.521974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.521974 (E_RNA)
where:
Base-Base interactions energy: -247.997
where: short stacking energy: -107.922
Base-Backbone interact. energy: -0.636
local terms energy: -125.888545
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -35.253
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: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -354.894831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.894831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.894831 (E_RNA)
where:
Base-Base interactions energy: -243.472
where: short stacking energy: -100.773
Base-Backbone interact. energy: -0.022
local terms energy: -111.400078
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -351.861833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.861833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.861833 (E_RNA)
where:
Base-Base interactions energy: -239.655
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.729
local terms energy: -111.477834
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -30.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -338.790085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.790085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.790085 (E_RNA)
where:
Base-Base interactions energy: -234.500
where: short stacking energy: -93.868
Base-Backbone interact. energy: -0.003
local terms energy: -104.286697
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -30.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -324.752557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.752557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.752557 (E_RNA)
where:
Base-Base interactions energy: -218.355
where: short stacking energy: -94.489
Base-Backbone interact. energy: -0.062
local terms energy: -106.335397
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -30.642
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -334.711472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.711472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.711472 (E_RNA)
where:
Base-Base interactions energy: -232.939
where: short stacking energy: -100.970
Base-Backbone interact. energy: -0.198
local terms energy: -101.574553
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -33.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -308.200553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.200553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.200553 (E_RNA)
where:
Base-Base interactions energy: -198.676
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.203
local terms energy: -109.321836
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -257.841788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.841788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.841788 (E_RNA)
where:
Base-Base interactions energy: -167.757
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.164
local terms energy: -89.920377
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.051793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051793 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -35.209
Base-Backbone interact. energy: -0.287
local terms energy: -61.859400
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -94.306852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306852 (E_RNA)
where:
Base-Base interactions energy: -23.469
where: short stacking energy: -22.457
Base-Backbone interact. energy: -0.334
local terms energy: -70.504417
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -358.008732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.008732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.008732 (E_RNA)
where:
Base-Base interactions energy: -244.777
where: short stacking energy: -98.574
Base-Backbone interact. energy: -0.374
local terms energy: -112.857364
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -34.162
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -359.129199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.129199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.129199 (E_RNA)
where:
Base-Base interactions energy: -242.720
where: short stacking energy: -100.430
Base-Backbone interact. energy: -0.009
local terms energy: -116.400413
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -32.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -348.204733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.204733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.204733 (E_RNA)
where:
Base-Base interactions energy: -234.807
where: short stacking energy: -96.885
Base-Backbone interact. energy: -0.187
local terms energy: -113.210172
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -34.696
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: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -320.610935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.610935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.610935 (E_RNA)
where:
Base-Base interactions energy: -218.530
where: short stacking energy: -91.088
Base-Backbone interact. energy: -0.152
local terms energy: -101.928989
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -32.835
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -337.437472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.437472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.437472 (E_RNA)
where:
Base-Base interactions energy: -234.569
where: short stacking energy: -93.467
Base-Backbone interact. energy: -0.086
local terms energy: -102.783156
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -31.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -329.574432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.574432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.574432 (E_RNA)
where:
Base-Base interactions energy: -216.617
where: short stacking energy: -75.973
Base-Backbone interact. energy: -0.137
local terms energy: -112.820896
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -301.977125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.977125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.977125 (E_RNA)
where:
Base-Base interactions energy: -209.410
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.103
local terms energy: -92.464493
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -240.669803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.669803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.669803 (E_RNA)
where:
Base-Base interactions energy: -158.172
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.249
local terms energy: -82.248887
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -99.805210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.805210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.805210 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -26.712
Base-Backbone interact. energy: -0.213
local terms energy: -67.165219
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -99.123822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.123822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.123822 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.850
local terms energy: -67.287141
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -6.208
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -367.352383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.352383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.352383 (E_RNA)
where:
Base-Base interactions energy: -246.589
where: short stacking energy: -102.666
Base-Backbone interact. energy: -0.787
local terms energy: -119.976960
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -35.899
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: 450
Temperature: 0.950000
Total energy: -359.460059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.460059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.460059 (E_RNA)
where:
Base-Base interactions energy: -248.980
where: short stacking energy: -102.590
Base-Backbone interact. energy: -0.004
local terms energy: -110.475701
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -31.582
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -357.630417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.630417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.630417 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -99.235
Base-Backbone interact. energy: -0.021
local terms energy: -109.334393
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -347.701875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.701875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.701875 (E_RNA)
where:
Base-Base interactions energy: -233.465
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.002
local terms energy: -114.234754
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -30.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -325.132640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.132640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.132640 (E_RNA)
where:
Base-Base interactions energy: -224.699
where: short stacking energy: -86.264
Base-Backbone interact. energy: -0.003
local terms energy: -100.430163
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -30.561
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: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -323.044098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.044098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.044098 (E_RNA)
where:
Base-Base interactions energy: -211.488
where: short stacking energy: -79.383
Base-Backbone interact. energy: -0.024
local terms energy: -111.532284
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -322.178170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.178170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.178170 (E_RNA)
where:
Base-Base interactions energy: -217.710
where: short stacking energy: -90.706
Base-Backbone interact. energy: 2.053
local terms energy: -106.521742
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -30.709
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: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -285.962405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.962405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.962405 (E_RNA)
where:
Base-Base interactions energy: -193.227
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.090
local terms energy: -92.646154
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -101.408145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.408145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.408145 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.197
local terms energy: -63.823194
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: 3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -96.328617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.328617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.328617 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -24.696
Base-Backbone interact. energy: 1.141
local terms energy: -66.981238
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -0.591
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -361.838138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.838138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.838138 (E_RNA)
where:
Base-Base interactions energy: -248.204
where: short stacking energy: -104.273
Base-Backbone interact. energy: 0.387
local terms energy: -114.021634
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -27.814
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: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -353.962427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.962427 (E_RNA)
where:
Base-Base interactions energy: -234.349
where: short stacking energy: -99.513
Base-Backbone interact. energy: -0.009
local terms energy: -119.603762
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -34.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -353.043967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.043967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.043967 (E_RNA)
where:
Base-Base interactions energy: -240.562
where: short stacking energy: -103.733
Base-Backbone interact. energy: -0.004
local terms energy: -112.477746
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -30.277
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -348.783907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.783907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.783907 (E_RNA)
where:
Base-Base interactions energy: -241.656
where: short stacking energy: -99.539
Base-Backbone interact. energy: -0.004
local terms energy: -107.123825
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -35.007
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: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -328.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.116581 (E_RNA)
where:
Base-Base interactions energy: -225.767
where: short stacking energy: -91.689
Base-Backbone interact. energy: -0.034
local terms energy: -102.315793
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -316.356168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.356168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.356168 (E_RNA)
where:
Base-Base interactions energy: -208.630
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.022
local terms energy: -107.704389
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -300.883516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.883516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.883516 (E_RNA)
where:
Base-Base interactions energy: -198.779
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.137
local terms energy: -101.967629
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -29.334
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: 451
Temperature: 1.250000
Total energy: -300.665831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.665831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.665831 (E_RNA)
where:
Base-Base interactions energy: -200.111
where: short stacking energy: -81.258
Base-Backbone interact. energy: -0.102
local terms energy: -100.452282
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -29.952
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: 451
Temperature: 1.300000
Total energy: -118.283564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.283564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.283564 (E_RNA)
where:
Base-Base interactions energy: -50.918
where: short stacking energy: -44.017
Base-Backbone interact. energy: -0.140
local terms energy: -67.225976
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -16.855
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: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -101.699493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699493 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -24.033
Base-Backbone interact. energy: -0.104
local terms energy: -65.166008
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -356.163717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.163717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.163717 (E_RNA)
where:
Base-Base interactions energy: -244.577
where: short stacking energy: -104.612
Base-Backbone interact. energy: -0.002
local terms energy: -111.584749
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -30.678
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: 452
Temperature: 0.950000
Total energy: -359.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.087458 (E_RNA)
where:
Base-Base interactions energy: -248.246
where: short stacking energy: -105.237
Base-Backbone interact. energy: -0.003
local terms energy: -110.838561
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -36.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -357.407693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.407693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.407693 (E_RNA)
where:
Base-Base interactions energy: -238.932
where: short stacking energy: -95.853
Base-Backbone interact. energy: 0.296
local terms energy: -118.771716
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -334.180782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.180782 (E_RNA)
where:
Base-Base interactions energy: -222.713
where: short stacking energy: -89.472
Base-Backbone interact. energy: -0.004
local terms energy: -111.464203
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -27.487
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: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -323.801388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.801388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.801388 (E_RNA)
where:
Base-Base interactions energy: -220.160
where: short stacking energy: -84.469
Base-Backbone interact. energy: -0.598
local terms energy: -103.043881
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -323.767908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.767908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.767908 (E_RNA)
where:
Base-Base interactions energy: -214.909
where: short stacking energy: -81.849
Base-Backbone interact. energy: -0.869
local terms energy: -107.990434
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -248.618490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.618490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.618490 (E_RNA)
where:
Base-Base interactions energy: -159.705
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.937
local terms energy: -87.976353
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -262.753096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.753096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.753096 (E_RNA)
where:
Base-Base interactions energy: -182.960
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.107
local terms energy: -79.686429
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -100.977258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.977258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.977258 (E_RNA)
where:
Base-Base interactions energy: -30.104
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.197
local terms energy: -70.676483
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -6.251
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: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -88.701523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.701523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.701523 (E_RNA)
where:
Base-Base interactions energy: -23.179
where: short stacking energy: -21.988
Base-Backbone interact. energy: -0.213
local terms energy: -65.309508
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -0.548
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: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -354.325697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.325697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.325697 (E_RNA)
where:
Base-Base interactions energy: -236.696
where: short stacking energy: -96.238
Base-Backbone interact. energy: -0.010
local terms energy: -117.619327
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -30.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -354.987596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.987596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.987596 (E_RNA)
where:
Base-Base interactions energy: -238.782
where: short stacking energy: -96.681
Base-Backbone interact. energy: -0.001
local terms energy: -116.204352
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -34.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -350.505367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.505367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.505367 (E_RNA)
where:
Base-Base interactions energy: -239.706
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.035
local terms energy: -110.764725
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -339.195648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.195648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.195648 (E_RNA)
where:
Base-Base interactions energy: -235.332
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.631
local terms energy: -103.232180
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -31.990
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: 453
Temperature: 1.100000
Total energy: -338.088842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.088842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.088842 (E_RNA)
where:
Base-Base interactions energy: -232.844
where: short stacking energy: -94.550
Base-Backbone interact. energy: -0.606
local terms energy: -104.638391
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -32.815
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: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -323.983053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.983053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.983053 (E_RNA)
where:
Base-Base interactions energy: -225.804
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.093
local terms energy: -98.085432
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -31.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -251.716041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.716041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.716041 (E_RNA)
where:
Base-Base interactions energy: -154.754
where: short stacking energy: -65.623
Base-Backbone interact. energy: 0.440
local terms energy: -97.402199
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -249.708765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.708765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.708765 (E_RNA)
where:
Base-Base interactions energy: -150.698
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.107
local terms energy: -98.902926
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -103.742455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.742455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.742455 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -32.193
Base-Backbone interact. energy: -0.458
local terms energy: -67.251747
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.358
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -105.045957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.045957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.045957 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.498
local terms energy: -69.754397
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -351.494211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.494211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.494211 (E_RNA)
where:
Base-Base interactions energy: -234.747
where: short stacking energy: -98.757
Base-Backbone interact. energy: -0.304
local terms energy: -116.442965
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -32.991
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -358.791434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.791434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.791434 (E_RNA)
where:
Base-Base interactions energy: -253.607
where: short stacking energy: -99.650
Base-Backbone interact. energy: -0.005
local terms energy: -105.179107
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -34.201
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: 454
Temperature: 1.000000
Total energy: -355.956182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.956182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.956182 (E_RNA)
where:
Base-Base interactions energy: -238.003
where: short stacking energy: -99.243
Base-Backbone interact. energy: -0.001
local terms energy: -117.952577
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -35.658
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: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -352.921574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.921574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.921574 (E_RNA)
where:
Base-Base interactions energy: -236.723
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.010
local terms energy: -116.188313
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -340.352727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.352727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.352727 (E_RNA)
where:
Base-Base interactions energy: -228.376
where: short stacking energy: -93.359
Base-Backbone interact. energy: -0.138
local terms energy: -111.838936
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -320.926922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.926922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.926922 (E_RNA)
where:
Base-Base interactions energy: -214.657
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.024
local terms energy: -106.245493
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -250.559004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.559004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.559004 (E_RNA)
where:
Base-Base interactions energy: -156.523
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.371
local terms energy: -93.665000
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -236.276997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.276997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.276997 (E_RNA)
where:
Base-Base interactions energy: -153.243
where: short stacking energy: -65.252
Base-Backbone interact. energy: 0.290
local terms energy: -83.323924
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -127.988239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.988239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.988239 (E_RNA)
where:
Base-Base interactions energy: -61.803
where: short stacking energy: -21.701
Base-Backbone interact. energy: -0.256
local terms energy: -65.929403
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -109.354538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.354538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.354538 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.259
local terms energy: -73.287638
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -360.797305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.797305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.797305 (E_RNA)
where:
Base-Base interactions energy: -249.464
where: short stacking energy: -110.355
Base-Backbone interact. energy: -0.010
local terms energy: -111.324118
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -360.104381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.104381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.104381 (E_RNA)
where:
Base-Base interactions energy: -246.637
where: short stacking energy: -104.818
Base-Backbone interact. energy: -0.129
local terms energy: -113.338109
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -34.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -351.000587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.000587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.000587 (E_RNA)
where:
Base-Base interactions energy: -242.795
where: short stacking energy: -102.296
Base-Backbone interact. energy: -0.003
local terms energy: -108.202590
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -344.621760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.621760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.621760 (E_RNA)
where:
Base-Base interactions energy: -241.249
where: short stacking energy: -93.204
Base-Backbone interact. energy: -0.568
local terms energy: -102.804293
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -343.955498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.955498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955498 (E_RNA)
where:
Base-Base interactions energy: -234.360
where: short stacking energy: -97.369
Base-Backbone interact. energy: -0.064
local terms energy: -109.530834
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -29.199
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: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -326.922141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.922141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.922141 (E_RNA)
where:
Base-Base interactions energy: -223.692
where: short stacking energy: -87.469
Base-Backbone interact. energy: 0.039
local terms energy: -103.269407
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -26.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -216.493875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.493875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.493875 (E_RNA)
where:
Base-Base interactions energy: -134.952
where: short stacking energy: -53.652
Base-Backbone interact. energy: 1.628
local terms energy: -83.170569
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -14.292
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: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -243.818805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.818805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.818805 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.143
local terms energy: -94.442743
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -105.533322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533322 (E_RNA)
where:
Base-Base interactions energy: -33.228
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.411
local terms energy: -71.893724
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -8.378
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: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -99.679759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679759 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -32.980
Base-Backbone interact. energy: 1.270
local terms energy: -64.823986
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -361.964579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.964579 (E_RNA)
where:
Base-Base interactions energy: -240.126
where: short stacking energy: -103.419
Base-Backbone interact. energy: -0.078
local terms energy: -121.759787
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -35.935
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -362.904906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.904906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.904906 (E_RNA)
where:
Base-Base interactions energy: -246.240
where: short stacking energy: -103.523
Base-Backbone interact. energy: -0.002
local terms energy: -116.662962
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -34.555
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -348.633467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.633467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.633467 (E_RNA)
where:
Base-Base interactions energy: -236.295
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.068
local terms energy: -112.270124
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -30.403
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: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -343.146921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.146921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.146921 (E_RNA)
where:
Base-Base interactions energy: -234.706
where: short stacking energy: -91.267
Base-Backbone interact. energy: -0.160
local terms energy: -108.281355
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -31.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -337.821987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.821987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.821987 (E_RNA)
where:
Base-Base interactions energy: -232.337
where: short stacking energy: -94.098
Base-Backbone interact. energy: -0.067
local terms energy: -105.418080
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -31.735
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: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -341.412442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.412442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.412442 (E_RNA)
where:
Base-Base interactions energy: -233.816
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.102
local terms energy: -107.494712
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -30.600
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: 456
Temperature: 1.200000
Total energy: -243.870278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.870278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.870278 (E_RNA)
where:
Base-Base interactions energy: -168.566
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.417
local terms energy: -74.887851
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -1.432
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -209.933153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.933153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.933153 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -56.576
Base-Backbone interact. energy: -0.761
local terms energy: -79.942921
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -10.617
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: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -99.902096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.902096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.902096 (E_RNA)
where:
Base-Base interactions energy: -23.477
where: short stacking energy: -22.441
Base-Backbone interact. energy: -0.944
local terms energy: -75.481211
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -94.549766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549766 (E_RNA)
where:
Base-Base interactions energy: -15.762
where: short stacking energy: -15.186
Base-Backbone interact. energy: -0.776
local terms energy: -78.011948
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -358.578544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.578544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.578544 (E_RNA)
where:
Base-Base interactions energy: -242.751
where: short stacking energy: -94.948
Base-Backbone interact. energy: -0.006
local terms energy: -115.822456
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -35.756
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: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -362.029331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.029331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.029331 (E_RNA)
where:
Base-Base interactions energy: -244.818
where: short stacking energy: -105.252
Base-Backbone interact. energy: 0.513
local terms energy: -117.723456
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -349.786864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.786864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.786864 (E_RNA)
where:
Base-Base interactions energy: -236.219
where: short stacking energy: -97.081
Base-Backbone interact. energy: -0.089
local terms energy: -113.478635
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -33.582
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: 457
Temperature: 1.050000
Total energy: -345.859311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.859311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.859311 (E_RNA)
where:
Base-Base interactions energy: -231.777
where: short stacking energy: -94.272
Base-Backbone interact. energy: -0.076
local terms energy: -114.006103
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -29.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -355.274686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.274686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.274686 (E_RNA)
where:
Base-Base interactions energy: -239.670
where: short stacking energy: -94.666
Base-Backbone interact. energy: -0.046
local terms energy: -115.558602
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -321.105635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.105635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.105635 (E_RNA)
where:
Base-Base interactions energy: -215.473
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.057
local terms energy: -105.575506
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -28.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -269.884072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.884072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.884072 (E_RNA)
where:
Base-Base interactions energy: -181.501
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.087
local terms energy: -88.295646
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -213.319263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.319263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.319263 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.554
local terms energy: -74.058171
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -109.644729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.644729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.644729 (E_RNA)
where:
Base-Base interactions energy: -38.942
where: short stacking energy: -27.082
Base-Backbone interact. energy: -0.085
local terms energy: -70.617812
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -104.673415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.673415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.673415 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.407
local terms energy: -68.613182
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -366.451757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.451757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.451757 (E_RNA)
where:
Base-Base interactions energy: -245.138
where: short stacking energy: -101.673
Base-Backbone interact. energy: -0.091
local terms energy: -121.223096
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -35.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -356.417074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.417074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.417074 (E_RNA)
where:
Base-Base interactions energy: -244.740
where: short stacking energy: -97.678
Base-Backbone interact. energy: -0.392
local terms energy: -111.285230
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -32.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -360.077745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.077745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.077745 (E_RNA)
where:
Base-Base interactions energy: -248.424
where: short stacking energy: -101.183
Base-Backbone interact. energy: -0.032
local terms energy: -111.621706
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: -31.036
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: 458
Temperature: 1.050000
Total energy: -353.635744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.635744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.635744 (E_RNA)
where:
Base-Base interactions energy: -235.151
where: short stacking energy: -99.322
Base-Backbone interact. energy: -0.001
local terms energy: -118.483914
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -35.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -332.951530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.951530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.951530 (E_RNA)
where:
Base-Base interactions energy: -232.939
where: short stacking energy: -93.718
Base-Backbone interact. energy: -0.049
local terms energy: -99.963251
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -31.929
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: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -346.571847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.571847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.571847 (E_RNA)
where:
Base-Base interactions energy: -229.747
where: short stacking energy: -86.320
Base-Backbone interact. energy: -0.084
local terms energy: -116.741422
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -296.649698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.649698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.649698 (E_RNA)
where:
Base-Base interactions energy: -196.272
where: short stacking energy: -74.233
Base-Backbone interact. energy: -0.295
local terms energy: -100.082861
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -25.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -227.806443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.806443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.806443 (E_RNA)
where:
Base-Base interactions energy: -136.999
where: short stacking energy: -58.909
Base-Backbone interact. energy: -0.263
local terms energy: -90.543916
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -97.397563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.397563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.397563 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -35.043
Base-Backbone interact. energy: 0.456
local terms energy: -62.810526
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -7.139
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: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -97.041393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.041393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.041393 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -28.410
Base-Backbone interact. energy: 0.090
local terms energy: -67.945838
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -1.995
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -359.989697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.989697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.989697 (E_RNA)
where:
Base-Base interactions energy: -243.200
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.017
local terms energy: -116.772515
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -34.353
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: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -360.128004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.128004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.128004 (E_RNA)
where:
Base-Base interactions energy: -248.571
where: short stacking energy: -95.884
Base-Backbone interact. energy: -0.005
local terms energy: -111.552153
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -31.407
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: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -352.155969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.155969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.155969 (E_RNA)
where:
Base-Base interactions energy: -238.610
where: short stacking energy: -100.993
Base-Backbone interact. energy: -0.001
local terms energy: -113.545547
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -24.941
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -356.174817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.174817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.174817 (E_RNA)
where:
Base-Base interactions energy: -240.455
where: short stacking energy: -101.430
Base-Backbone interact. energy: 0.414
local terms energy: -116.133694
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -35.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -338.269450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.269450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.269450 (E_RNA)
where:
Base-Base interactions energy: -238.305
where: short stacking energy: -92.093
Base-Backbone interact. energy: -0.016
local terms energy: -99.948079
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -300.688137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.688137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.688137 (E_RNA)
where:
Base-Base interactions energy: -203.998
where: short stacking energy: -77.430
Base-Backbone interact. energy: 1.061
local terms energy: -97.751099
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -305.965789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.965789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.965789 (E_RNA)
where:
Base-Base interactions energy: -202.718
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.172
local terms energy: -103.076262
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -238.906463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.906463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.906463 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.322
local terms energy: -83.016263
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -101.257790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.257790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.257790 (E_RNA)
where:
Base-Base interactions energy: -29.481
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.123
local terms energy: -71.653977
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -98.570245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.570245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.570245 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -28.288
Base-Backbone interact. energy: -0.197
local terms energy: -64.652636
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -372.163498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.163498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.163498 (E_RNA)
where:
Base-Base interactions energy: -253.763
where: short stacking energy: -106.888
Base-Backbone interact. energy: -0.398
local terms energy: -118.003155
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -34.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -360.064011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.064011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.064011 (E_RNA)
where:
Base-Base interactions energy: -242.061
where: short stacking energy: -101.065
Base-Backbone interact. energy: -0.642
local terms energy: -117.360873
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -35.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -346.040164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.040164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.040164 (E_RNA)
where:
Base-Base interactions energy: -239.981
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.898
local terms energy: -105.161620
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -32.582
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: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -344.538999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.538999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.538999 (E_RNA)
where:
Base-Base interactions energy: -231.326
where: short stacking energy: -88.199
Base-Backbone interact. energy: 2.509
local terms energy: -115.722553
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -31.635
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: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -339.519252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.519252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.519252 (E_RNA)
where:
Base-Base interactions energy: -223.057
where: short stacking energy: -86.344
Base-Backbone interact. energy: -0.020
local terms energy: -116.442240
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -27.706
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: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -309.554067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.554067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.554067 (E_RNA)
where:
Base-Base interactions energy: -210.654
where: short stacking energy: -85.201
Base-Backbone interact. energy: -0.854
local terms energy: -98.046633
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -270.195749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.195749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.195749 (E_RNA)
where:
Base-Base interactions energy: -187.486
where: short stacking energy: -77.131
Base-Backbone interact. energy: 0.163
local terms energy: -82.873242
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -295.126744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.126744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.126744 (E_RNA)
where:
Base-Base interactions energy: -197.554
where: short stacking energy: -72.061
Base-Backbone interact. energy: 0.991
local terms energy: -98.563885
where:
bonds (distance) C4'-P energy: -23.164
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -27.204
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: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -104.006388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006388 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.065
local terms energy: -69.248204
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -88.175197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175197 (E_RNA)
where:
Base-Base interactions energy: -16.505
where: short stacking energy: -14.972
Base-Backbone interact. energy: -0.086
local terms energy: -71.583822
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -375.599734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.599734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.599734 (E_RNA)
where:
Base-Base interactions energy: -250.956
where: short stacking energy: -97.048
Base-Backbone interact. energy: -0.485
local terms energy: -124.158640
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -31.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -356.051033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.051033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.051033 (E_RNA)
where:
Base-Base interactions energy: -239.297
where: short stacking energy: -95.904
Base-Backbone interact. energy: 0.231
local terms energy: -116.985531
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -356.665037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.665037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.665037 (E_RNA)
where:
Base-Base interactions energy: -242.591
where: short stacking energy: -98.952
Base-Backbone interact. energy: -0.201
local terms energy: -113.872814
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -34.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -333.644686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.644686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.644686 (E_RNA)
where:
Base-Base interactions energy: -225.430
where: short stacking energy: -92.078
Base-Backbone interact. energy: -0.019
local terms energy: -108.195609
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -29.262
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -329.535410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.535410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.535410 (E_RNA)
where:
Base-Base interactions energy: -217.551
where: short stacking energy: -87.343
Base-Backbone interact. energy: -0.006
local terms energy: -111.978539
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -30.824
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: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -294.104779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.104779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.104779 (E_RNA)
where:
Base-Base interactions energy: -197.720
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.487
local terms energy: -95.897196
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -243.843657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.843657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.843657 (E_RNA)
where:
Base-Base interactions energy: -155.075
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.182
local terms energy: -88.587223
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -298.419582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.419582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.419582 (E_RNA)
where:
Base-Base interactions energy: -208.305
where: short stacking energy: -89.254
Base-Backbone interact. energy: -0.133
local terms energy: -89.981525
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -109.628359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.628359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.628359 (E_RNA)
where:
Base-Base interactions energy: -45.948
where: short stacking energy: -41.492
Base-Backbone interact. energy: -1.155
local terms energy: -62.525048
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -106.175136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.175136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.175136 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -26.992
Base-Backbone interact. energy: -1.210
local terms energy: -72.510921
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -365.729562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.729562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.729562 (E_RNA)
where:
Base-Base interactions energy: -255.347
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.021
local terms energy: -110.361588
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -32.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -362.684981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.684981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.684981 (E_RNA)
where:
Base-Base interactions energy: -240.544
where: short stacking energy: -103.823
Base-Backbone interact. energy: -0.006
local terms energy: -122.135188
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -34.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -351.131388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.131388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.131388 (E_RNA)
where:
Base-Base interactions energy: -240.155
where: short stacking energy: -100.549
Base-Backbone interact. energy: 0.048
local terms energy: -111.024354
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -31.237
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: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -331.858487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.858487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.858487 (E_RNA)
where:
Base-Base interactions energy: -230.662
where: short stacking energy: -85.545
Base-Backbone interact. energy: -0.096
local terms energy: -101.100792
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -26.933
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -315.209620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.209620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.209620 (E_RNA)
where:
Base-Base interactions energy: -202.583
where: short stacking energy: -92.241
Base-Backbone interact. energy: -0.254
local terms energy: -112.373034
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -310.520220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.520220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.520220 (E_RNA)
where:
Base-Base interactions energy: -208.358
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.057
local terms energy: -102.105352
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -302.970888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.970888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.970888 (E_RNA)
where:
Base-Base interactions energy: -205.320
where: short stacking energy: -80.385
Base-Backbone interact. energy: -0.001
local terms energy: -97.649712
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -273.188178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.188178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.188178 (E_RNA)
where:
Base-Base interactions energy: -179.089
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.202
local terms energy: -93.897038
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -100.675012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.675012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.675012 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.639
local terms energy: -57.975421
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.658
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: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -93.985038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.985038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.985038 (E_RNA)
where:
Base-Base interactions energy: -24.935
where: short stacking energy: -22.283
Base-Backbone interact. energy: -0.314
local terms energy: -68.736696
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -363.781028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.781028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.781028 (E_RNA)
where:
Base-Base interactions energy: -252.330
where: short stacking energy: -104.015
Base-Backbone interact. energy: -0.332
local terms energy: -111.118866
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -371.197847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.197847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.197847 (E_RNA)
where:
Base-Base interactions energy: -254.946
where: short stacking energy: -104.626
Base-Backbone interact. energy: 0.616
local terms energy: -116.867715
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -35.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -350.585328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.585328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.585328 (E_RNA)
where:
Base-Base interactions energy: -241.333
where: short stacking energy: -88.475
Base-Backbone interact. energy: -1.086
local terms energy: -108.165658
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -27.865
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: 463
Temperature: 1.050000
Total energy: -317.353625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.353625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.353625 (E_RNA)
where:
Base-Base interactions energy: -214.945
where: short stacking energy: -91.799
Base-Backbone interact. energy: -0.993
local terms energy: -101.415341
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -333.890915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.890915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.890915 (E_RNA)
where:
Base-Base interactions energy: -229.428
where: short stacking energy: -99.352
Base-Backbone interact. energy: -0.275
local terms energy: -104.187174
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -30.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -310.975674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.975674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.975674 (E_RNA)
where:
Base-Base interactions energy: -220.381
where: short stacking energy: -83.572
Base-Backbone interact. energy: -0.081
local terms energy: -90.513883
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -305.519002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.519002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.519002 (E_RNA)
where:
Base-Base interactions energy: -210.388
where: short stacking energy: -82.643
Base-Backbone interact. energy: 0.058
local terms energy: -95.188669
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -24.948
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -292.491846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.491846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.491846 (E_RNA)
where:
Base-Base interactions energy: -196.068
where: short stacking energy: -83.877
Base-Backbone interact. energy: -0.144
local terms energy: -96.279902
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -102.913177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913177 (E_RNA)
where:
Base-Base interactions energy: -44.433
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.083
local terms energy: -58.396690
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -92.718744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.718744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.718744 (E_RNA)
where:
Base-Base interactions energy: -19.774
where: short stacking energy: -19.471
Base-Backbone interact. energy: 0.265
local terms energy: -73.210377
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -12.006
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: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -370.642952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.642952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.642952 (E_RNA)
where:
Base-Base interactions energy: -254.956
where: short stacking energy: -97.716
Base-Backbone interact. energy: 0.012
local terms energy: -115.699414
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -361.104267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.104267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.104267 (E_RNA)
where:
Base-Base interactions energy: -250.699
where: short stacking energy: -102.931
Base-Backbone interact. energy: -0.013
local terms energy: -110.392788
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -33.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -359.654861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.654861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.654861 (E_RNA)
where:
Base-Base interactions energy: -247.167
where: short stacking energy: -95.062
Base-Backbone interact. energy: -0.021
local terms energy: -112.467123
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -35.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -326.081255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.081255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.081255 (E_RNA)
where:
Base-Base interactions energy: -224.014
where: short stacking energy: -83.850
Base-Backbone interact. energy: -0.995
local terms energy: -101.072687
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -315.379112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.379112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.379112 (E_RNA)
where:
Base-Base interactions energy: -213.946
where: short stacking energy: -86.735
Base-Backbone interact. energy: -0.126
local terms energy: -101.306940
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -322.287201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.287201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.287201 (E_RNA)
where:
Base-Base interactions energy: -228.700
where: short stacking energy: -91.519
Base-Backbone interact. energy: -0.019
local terms energy: -93.567393
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -29.675
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -345.215942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.215942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.215942 (E_RNA)
where:
Base-Base interactions energy: -230.630
where: short stacking energy: -95.910
Base-Backbone interact. energy: -0.028
local terms energy: -114.557885
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -35.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -296.333983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.333983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.333983 (E_RNA)
where:
Base-Base interactions energy: -201.530
where: short stacking energy: -83.333
Base-Backbone interact. energy: -0.682
local terms energy: -94.121807
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -27.897
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: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -92.856272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.856272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.856272 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -27.052
Base-Backbone interact. energy: -0.378
local terms energy: -66.638966
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -90.503342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.503342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.503342 (E_RNA)
where:
Base-Base interactions energy: -32.133
where: short stacking energy: -13.651
Base-Backbone interact. energy: 1.104
local terms energy: -59.474038
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.930
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: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -358.423050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.423050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.423050 (E_RNA)
where:
Base-Base interactions energy: -240.728
where: short stacking energy: -96.674
Base-Backbone interact. energy: -0.000
local terms energy: -117.694156
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -34.612
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: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -367.482164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.482164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.482164 (E_RNA)
where:
Base-Base interactions energy: -251.070
where: short stacking energy: -99.607
Base-Backbone interact. energy: -0.000
local terms energy: -116.411504
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -34.991
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -357.760837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.760837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.760837 (E_RNA)
where:
Base-Base interactions energy: -254.550
where: short stacking energy: -96.649
Base-Backbone interact. energy: -0.005
local terms energy: -103.205899
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -344.518513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.518513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.518513 (E_RNA)
where:
Base-Base interactions energy: -227.891
where: short stacking energy: -92.035
Base-Backbone interact. energy: -0.002
local terms energy: -116.625682
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -315.016059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.016059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.016059 (E_RNA)
where:
Base-Base interactions energy: -209.394
where: short stacking energy: -88.446
Base-Backbone interact. energy: -0.180
local terms energy: -105.441488
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -332.676426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.676426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.676426 (E_RNA)
where:
Base-Base interactions energy: -226.650
where: short stacking energy: -83.223
Base-Backbone interact. energy: -0.147
local terms energy: -105.880018
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -320.386179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.386179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.386179 (E_RNA)
where:
Base-Base interactions energy: -219.869
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.097
local terms energy: -100.420506
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -288.072388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.072388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.072388 (E_RNA)
where:
Base-Base interactions energy: -203.453
where: short stacking energy: -71.349
Base-Backbone interact. energy: 0.043
local terms energy: -84.662140
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -91.696147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696147 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -26.324
Base-Backbone interact. energy: 0.213
local terms energy: -61.943934
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -112.057429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.057429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.057429 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -31.993
Base-Backbone interact. energy: -0.189
local terms energy: -65.494837
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -373.902523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.902523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.902523 (E_RNA)
where:
Base-Base interactions energy: -260.315
where: short stacking energy: -106.839
Base-Backbone interact. energy: -0.002
local terms energy: -113.585615
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -34.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -358.797865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.797865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.797865 (E_RNA)
where:
Base-Base interactions energy: -238.390
where: short stacking energy: -95.163
Base-Backbone interact. energy: -0.069
local terms energy: -120.338986
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -34.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -354.681984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.681984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.681984 (E_RNA)
where:
Base-Base interactions energy: -240.637
where: short stacking energy: -103.999
Base-Backbone interact. energy: -0.005
local terms energy: -114.039820
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -36.647
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -338.210945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.210945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.210945 (E_RNA)
where:
Base-Base interactions energy: -224.751
where: short stacking energy: -88.942
Base-Backbone interact. energy: -0.072
local terms energy: -113.388273
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -29.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -316.757507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.757507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.757507 (E_RNA)
where:
Base-Base interactions energy: -214.950
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.832
local terms energy: -100.975231
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -30.040
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: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -334.847524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.847524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.847524 (E_RNA)
where:
Base-Base interactions energy: -224.389
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.255
local terms energy: -110.203763
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -33.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -316.679340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.679340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.679340 (E_RNA)
where:
Base-Base interactions energy: -215.410
where: short stacking energy: -79.971
Base-Backbone interact. energy: -0.104
local terms energy: -101.165042
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -30.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -275.582337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.582337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.582337 (E_RNA)
where:
Base-Base interactions energy: -191.084
where: short stacking energy: -77.265
Base-Backbone interact. energy: -0.001
local terms energy: -84.497487
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -26.943
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: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -111.710599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.710599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.710599 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.129
local terms energy: -67.174154
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -6.612
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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -99.143205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.143205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.143205 (E_RNA)
where:
Base-Base interactions energy: -23.837
where: short stacking energy: -20.375
Base-Backbone interact. energy: -0.938
local terms energy: -74.368658
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -369.923214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.923214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.923214 (E_RNA)
where:
Base-Base interactions energy: -250.235
where: short stacking energy: -101.338
Base-Backbone interact. energy: -0.016
local terms energy: -119.672864
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -34.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -355.014021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.014021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.014021 (E_RNA)
where:
Base-Base interactions energy: -239.408
where: short stacking energy: -101.664
Base-Backbone interact. energy: -0.004
local terms energy: -115.602146
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -33.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -357.965953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.965953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.965953 (E_RNA)
where:
Base-Base interactions energy: -242.243
where: short stacking energy: -99.511
Base-Backbone interact. energy: -0.003
local terms energy: -115.720008
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -35.780
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: 467
Temperature: 1.050000
Total energy: -349.124877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.124877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.124877 (E_RNA)
where:
Base-Base interactions energy: -242.784
where: short stacking energy: -93.343
Base-Backbone interact. energy: -0.036
local terms energy: -106.304938
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -32.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -323.847916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.847916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.847916 (E_RNA)
where:
Base-Base interactions energy: -223.285
where: short stacking energy: -86.063
Base-Backbone interact. energy: -0.428
local terms energy: -100.134321
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -332.725632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.725632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.725632 (E_RNA)
where:
Base-Base interactions energy: -229.544
where: short stacking energy: -86.735
Base-Backbone interact. energy: -0.105
local terms energy: -103.076437
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -31.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -273.897215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.897215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.897215 (E_RNA)
where:
Base-Base interactions energy: -178.998
where: short stacking energy: -60.908
Base-Backbone interact. energy: 5.096
local terms energy: -99.995634
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -307.222491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.222491 (E_RNA)
where:
Base-Base interactions energy: -210.291
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.962
local terms energy: -95.969492
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -112.588113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.588113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.588113 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -30.191
Base-Backbone interact. energy: 2.761
local terms energy: -77.984456
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -14.961
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -93.331790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.331790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.331790 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -23.382
Base-Backbone interact. energy: -0.293
local terms energy: -65.532765
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -365.270424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.270424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.270424 (E_RNA)
where:
Base-Base interactions energy: -248.969
where: short stacking energy: -98.011
Base-Backbone interact. energy: -0.181
local terms energy: -116.119854
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -29.814
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: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -357.349137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.349137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.349137 (E_RNA)
where:
Base-Base interactions energy: -242.404
where: short stacking energy: -103.204
Base-Backbone interact. energy: -0.001
local terms energy: -114.944609
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -35.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -359.991325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.991325 (E_RNA)
where:
Base-Base interactions energy: -238.441
where: short stacking energy: -98.828
Base-Backbone interact. energy: -0.002
local terms energy: -121.547680
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -35.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -351.919447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.919447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.919447 (E_RNA)
where:
Base-Base interactions energy: -254.085
where: short stacking energy: -99.938
Base-Backbone interact. energy: -0.011
local terms energy: -97.823346
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -332.887969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.887969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.887969 (E_RNA)
where:
Base-Base interactions energy: -229.148
where: short stacking energy: -93.161
Base-Backbone interact. energy: -0.001
local terms energy: -103.739214
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -34.112
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: 468
Temperature: 1.150000
Total energy: -330.289907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.289907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.289907 (E_RNA)
where:
Base-Base interactions energy: -221.846
where: short stacking energy: -86.878
Base-Backbone interact. energy: -0.063
local terms energy: -108.381206
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -30.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -306.564268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.564268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.564268 (E_RNA)
where:
Base-Base interactions energy: -206.799
where: short stacking energy: -83.486
Base-Backbone interact. energy: -0.175
local terms energy: -99.590175
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -278.507206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.507206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.507206 (E_RNA)
where:
Base-Base interactions energy: -179.558
where: short stacking energy: -78.058
Base-Backbone interact. energy: -0.173
local terms energy: -98.777110
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -104.578070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.578070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.578070 (E_RNA)
where:
Base-Base interactions energy: -39.305
where: short stacking energy: -26.419
Base-Backbone interact. energy: 1.497
local terms energy: -66.770169
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -97.708415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.708415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.708415 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.391
local terms energy: -63.807336
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: 0.204
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -362.317673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.317673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.317673 (E_RNA)
where:
Base-Base interactions energy: -253.329
where: short stacking energy: -104.230
Base-Backbone interact. energy: 0.027
local terms energy: -109.015019
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -33.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -357.882197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.882197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.882197 (E_RNA)
where:
Base-Base interactions energy: -242.345
where: short stacking energy: -98.253
Base-Backbone interact. energy: -0.305
local terms energy: -115.231564
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -30.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -349.768828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.768828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.768828 (E_RNA)
where:
Base-Base interactions energy: -239.294
where: short stacking energy: -98.447
Base-Backbone interact. energy: -0.069
local terms energy: -110.405693
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -347.811887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.811887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.811887 (E_RNA)
where:
Base-Base interactions energy: -242.253
where: short stacking energy: -99.606
Base-Backbone interact. energy: -0.116
local terms energy: -105.442397
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -331.101135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.101135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.101135 (E_RNA)
where:
Base-Base interactions energy: -233.447
where: short stacking energy: -96.169
Base-Backbone interact. energy: 0.119
local terms energy: -97.773035
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -30.290
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: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -308.000578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.000578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.000578 (E_RNA)
where:
Base-Base interactions energy: -213.010
where: short stacking energy: -88.244
Base-Backbone interact. energy: -0.141
local terms energy: -94.850268
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -27.449
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: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -338.340314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.340314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.340314 (E_RNA)
where:
Base-Base interactions energy: -240.781
where: short stacking energy: -92.078
Base-Backbone interact. energy: -0.013
local terms energy: -97.546204
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -283.131424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.131424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.131424 (E_RNA)
where:
Base-Base interactions energy: -188.828
where: short stacking energy: -63.931
Base-Backbone interact. energy: -1.238
local terms energy: -93.065404
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -97.375033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.375033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.375033 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.331
local terms energy: -62.595733
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -95.679777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.679777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.679777 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -12.802
Base-Backbone interact. energy: -0.305
local terms energy: -65.536182
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -3.330
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: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -359.425533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.425533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.425533 (E_RNA)
where:
Base-Base interactions energy: -241.009
where: short stacking energy: -91.835
Base-Backbone interact. energy: -0.007
local terms energy: -118.409477
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -32.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -349.452599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.452599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.452599 (E_RNA)
where:
Base-Base interactions energy: -231.606
where: short stacking energy: -90.696
Base-Backbone interact. energy: 0.539
local terms energy: -118.385652
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -31.452
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -349.738320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.738320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.738320 (E_RNA)
where:
Base-Base interactions energy: -243.608
where: short stacking energy: -100.149
Base-Backbone interact. energy: -0.688
local terms energy: -105.442324
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -31.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -329.131594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.131594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.131594 (E_RNA)
where:
Base-Base interactions energy: -220.994
where: short stacking energy: -84.123
Base-Backbone interact. energy: 0.274
local terms energy: -108.411463
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -30.247
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: 470
Temperature: 1.100000
Total energy: -337.345024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.345024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.345024 (E_RNA)
where:
Base-Base interactions energy: -234.624
where: short stacking energy: -95.426
Base-Backbone interact. energy: 1.595
local terms energy: -104.316546
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -33.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -321.765337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.765337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.765337 (E_RNA)
where:
Base-Base interactions energy: -211.985
where: short stacking energy: -77.497
Base-Backbone interact. energy: -0.040
local terms energy: -109.740220
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -303.498360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.498360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.498360 (E_RNA)
where:
Base-Base interactions energy: -208.658
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.616
local terms energy: -94.224221
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -307.027049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.027049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.027049 (E_RNA)
where:
Base-Base interactions energy: -209.365
where: short stacking energy: -95.517
Base-Backbone interact. energy: -0.081
local terms energy: -97.580405
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -27.532
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: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -99.989901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.989901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.989901 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -24.183
Base-Backbone interact. energy: -1.113
local terms energy: -60.501978
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: 4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -96.459769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.459769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.459769 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.542
local terms energy: -56.620993
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: 5.817
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: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -363.750718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.750718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.750718 (E_RNA)
where:
Base-Base interactions energy: -244.937
where: short stacking energy: -97.874
Base-Backbone interact. energy: -0.165
local terms energy: -118.648418
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -35.800
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: 471
Temperature: 0.950000
Total energy: -350.341467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.341467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.341467 (E_RNA)
where:
Base-Base interactions energy: -232.102
where: short stacking energy: -94.871
Base-Backbone interact. energy: -0.004
local terms energy: -118.235101
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -356.335317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.335317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.335317 (E_RNA)
where:
Base-Base interactions energy: -235.755
where: short stacking energy: -96.179
Base-Backbone interact. energy: -0.026
local terms energy: -120.554601
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -344.830772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.830772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.830772 (E_RNA)
where:
Base-Base interactions energy: -239.346
where: short stacking energy: -97.408
Base-Backbone interact. energy: -0.010
local terms energy: -105.474768
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -29.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -324.278922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.278922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.278922 (E_RNA)
where:
Base-Base interactions energy: -223.443
where: short stacking energy: -90.456
Base-Backbone interact. energy: -0.110
local terms energy: -100.726303
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -29.367
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: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -316.552854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.552854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.552854 (E_RNA)
where:
Base-Base interactions energy: -217.211
where: short stacking energy: -80.155
Base-Backbone interact. energy: -0.128
local terms energy: -99.213346
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -308.199204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.199204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.199204 (E_RNA)
where:
Base-Base interactions energy: -200.700
where: short stacking energy: -85.785
Base-Backbone interact. energy: -0.074
local terms energy: -107.425499
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -28.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -316.514034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.514034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.514034 (E_RNA)
where:
Base-Base interactions energy: -219.549
where: short stacking energy: -77.897
Base-Backbone interact. energy: 0.080
local terms energy: -97.044327
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -30.016
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -99.664316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.664316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.664316 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -32.068
Base-Backbone interact. energy: 0.782
local terms energy: -60.295466
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: 5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -102.973314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.973314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.973314 (E_RNA)
where:
Base-Base interactions energy: -49.660
where: short stacking energy: -24.948
Base-Backbone interact. energy: -0.300
local terms energy: -53.013184
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -3.107
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: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -367.643631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.643631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.643631 (E_RNA)
where:
Base-Base interactions energy: -248.646
where: short stacking energy: -101.862
Base-Backbone interact. energy: -0.001
local terms energy: -118.996710
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -344.352845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.352845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.352845 (E_RNA)
where:
Base-Base interactions energy: -234.441
where: short stacking energy: -89.897
Base-Backbone interact. energy: -0.001
local terms energy: -109.911140
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -353.954195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.954195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.954195 (E_RNA)
where:
Base-Base interactions energy: -235.179
where: short stacking energy: -95.243
Base-Backbone interact. energy: -0.095
local terms energy: -118.679975
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -32.255
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -348.186922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.186922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.186922 (E_RNA)
where:
Base-Base interactions energy: -236.679
where: short stacking energy: -91.268
Base-Backbone interact. energy: -0.045
local terms energy: -111.462060
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -30.514
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: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -345.293610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.293610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.293610 (E_RNA)
where:
Base-Base interactions energy: -227.527
where: short stacking energy: -91.895
Base-Backbone interact. energy: -0.194
local terms energy: -117.572845
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -32.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -322.440571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.440571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.440571 (E_RNA)
where:
Base-Base interactions energy: -215.052
where: short stacking energy: -83.398
Base-Backbone interact. energy: -0.103
local terms energy: -107.284872
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -310.422313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.422313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.422313 (E_RNA)
where:
Base-Base interactions energy: -212.603
where: short stacking energy: -75.100
Base-Backbone interact. energy: -0.331
local terms energy: -97.487875
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -25.277
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: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -295.495003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.495003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.495003 (E_RNA)
where:
Base-Base interactions energy: -197.210
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.076
local terms energy: -98.208762
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -117.024711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.024711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.024711 (E_RNA)
where:
Base-Base interactions energy: -58.027
where: short stacking energy: -20.215
Base-Backbone interact. energy: -0.832
local terms energy: -58.166283
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: 4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -122.322642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.322642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.322642 (E_RNA)
where:
Base-Base interactions energy: -53.085
where: short stacking energy: -27.333
Base-Backbone interact. energy: 2.657
local terms energy: -71.894699
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -14.267
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: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -367.915471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.915471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.915471 (E_RNA)
where:
Base-Base interactions energy: -245.401
where: short stacking energy: -101.452
Base-Backbone interact. energy: -0.911
local terms energy: -121.604327
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -34.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -365.007495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.007495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.007495 (E_RNA)
where:
Base-Base interactions energy: -246.913
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.012
local terms energy: -118.082579
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -356.336318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.336318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.336318 (E_RNA)
where:
Base-Base interactions energy: -239.271
where: short stacking energy: -102.663
Base-Backbone interact. energy: -0.004
local terms energy: -117.060913
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -343.625390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.625390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.625390 (E_RNA)
where:
Base-Base interactions energy: -241.945
where: short stacking energy: -99.097
Base-Backbone interact. energy: -0.124
local terms energy: -101.555815
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -29.577
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: 473
Temperature: 1.100000
Total energy: -348.625157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.625157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.625157 (E_RNA)
where:
Base-Base interactions energy: -236.305
where: short stacking energy: -101.007
Base-Backbone interact. energy: 0.558
local terms energy: -112.878077
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -32.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -342.862856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.862856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.862856 (E_RNA)
where:
Base-Base interactions energy: -229.093
where: short stacking energy: -99.357
Base-Backbone interact. energy: -0.641
local terms energy: -113.129055
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -31.931
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -306.641475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.641475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.641475 (E_RNA)
where:
Base-Base interactions energy: -217.864
where: short stacking energy: -74.976
Base-Backbone interact. energy: -0.039
local terms energy: -88.737997
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -293.368081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.368081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.368081 (E_RNA)
where:
Base-Base interactions energy: -199.873
where: short stacking energy: -82.935
Base-Backbone interact. energy: -0.020
local terms energy: -93.475380
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -101.203554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.203554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.203554 (E_RNA)
where:
Base-Base interactions energy: -31.442
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.362
local terms energy: -69.400089
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -120.157538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.157538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.157538 (E_RNA)
where:
Base-Base interactions energy: -44.624
where: short stacking energy: -34.263
Base-Backbone interact. energy: -0.147
local terms energy: -75.385891
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -0.114
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: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -354.745993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.745993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.745993 (E_RNA)
where:
Base-Base interactions energy: -235.164
where: short stacking energy: -98.142
Base-Backbone interact. energy: -0.599
local terms energy: -118.983094
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -30.470
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -362.813511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.813511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.813511 (E_RNA)
where:
Base-Base interactions energy: -250.998
where: short stacking energy: -96.911
Base-Backbone interact. energy: -0.117
local terms energy: -111.699038
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -32.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -357.689717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.689717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.689717 (E_RNA)
where:
Base-Base interactions energy: -242.305
where: short stacking energy: -98.699
Base-Backbone interact. energy: 0.258
local terms energy: -115.642596
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -36.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -347.448513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.448513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.448513 (E_RNA)
where:
Base-Base interactions energy: -231.834
where: short stacking energy: -93.586
Base-Backbone interact. energy: 0.151
local terms energy: -115.765109
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -32.684
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: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -322.266427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.266427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.266427 (E_RNA)
where:
Base-Base interactions energy: -219.576
where: short stacking energy: -80.858
Base-Backbone interact. energy: -0.002
local terms energy: -102.689162
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -333.250056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.250056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.250056 (E_RNA)
where:
Base-Base interactions energy: -222.906
where: short stacking energy: -93.864
Base-Backbone interact. energy: 0.951
local terms energy: -111.295518
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -30.694
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: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -303.037793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.037793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.037793 (E_RNA)
where:
Base-Base interactions energy: -209.099
where: short stacking energy: -76.747
Base-Backbone interact. energy: -0.069
local terms energy: -93.869855
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -310.739667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.739667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.739667 (E_RNA)
where:
Base-Base interactions energy: -213.348
where: short stacking energy: -87.903
Base-Backbone interact. energy: -1.013
local terms energy: -96.378175
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -26.458
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: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -110.354204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.354204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.354204 (E_RNA)
where:
Base-Base interactions energy: -40.842
where: short stacking energy: -25.367
Base-Backbone interact. energy: -0.181
local terms energy: -69.331561
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: 4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -106.526230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.526230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.526230 (E_RNA)
where:
Base-Base interactions energy: -45.426
where: short stacking energy: -15.359
Base-Backbone interact. energy: 1.159
local terms energy: -62.259158
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -357.590233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.590233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.590233 (E_RNA)
where:
Base-Base interactions energy: -244.037
where: short stacking energy: -93.586
Base-Backbone interact. energy: 0.020
local terms energy: -113.573124
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -31.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -359.014403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.014403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.014403 (E_RNA)
where:
Base-Base interactions energy: -248.689
where: short stacking energy: -101.622
Base-Backbone interact. energy: -0.173
local terms energy: -110.151670
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -35.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -344.675064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.675064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.675064 (E_RNA)
where:
Base-Base interactions energy: -226.526
where: short stacking energy: -87.950
Base-Backbone interact. energy: -0.169
local terms energy: -117.980428
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -32.863
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: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -333.091106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.091106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.091106 (E_RNA)
where:
Base-Base interactions energy: -224.612
where: short stacking energy: -91.174
Base-Backbone interact. energy: -0.003
local terms energy: -108.475789
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -33.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -337.072828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.072828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.072828 (E_RNA)
where:
Base-Base interactions energy: -235.829
where: short stacking energy: -85.437
Base-Backbone interact. energy: -0.080
local terms energy: -101.163613
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -32.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -319.802524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.802524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.802524 (E_RNA)
where:
Base-Base interactions energy: -222.282
where: short stacking energy: -94.543
Base-Backbone interact. energy: -0.041
local terms energy: -97.479265
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -329.839975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.839975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.839975 (E_RNA)
where:
Base-Base interactions energy: -224.383
where: short stacking energy: -88.349
Base-Backbone interact. energy: -0.062
local terms energy: -105.394866
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -28.965
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: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -297.935257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.935257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.935257 (E_RNA)
where:
Base-Base interactions energy: -199.854
where: short stacking energy: -82.503
Base-Backbone interact. energy: -0.007
local terms energy: -98.074751
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -26.966
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: 475
Temperature: 1.300000
Total energy: -127.358360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.358360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.358360 (E_RNA)
where:
Base-Base interactions energy: -57.773
where: short stacking energy: -40.144
Base-Backbone interact. energy: 0.791
local terms energy: -70.375839
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -102.079424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.079424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.079424 (E_RNA)
where:
Base-Base interactions energy: -41.648
where: short stacking energy: -34.705
Base-Backbone interact. energy: -0.083
local terms energy: -60.347728
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -3.941
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: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -366.016111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.016111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.016111 (E_RNA)
where:
Base-Base interactions energy: -249.160
where: short stacking energy: -97.102
Base-Backbone interact. energy: -0.452
local terms energy: -116.404374
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -35.149
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: 476
Temperature: 0.950000
Total energy: -365.698386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.698386 (E_RNA)
where:
Base-Base interactions energy: -247.025
where: short stacking energy: -102.449
Base-Backbone interact. energy: -0.002
local terms energy: -118.671088
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -36.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -355.117649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.117649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.117649 (E_RNA)
where:
Base-Base interactions energy: -246.955
where: short stacking energy: -99.504
Base-Backbone interact. energy: -0.016
local terms energy: -108.146908
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -35.315
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: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -346.121277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.121277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.121277 (E_RNA)
where:
Base-Base interactions energy: -232.881
where: short stacking energy: -97.889
Base-Backbone interact. energy: -0.293
local terms energy: -112.946865
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -36.483
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: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -335.619738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.619738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.619738 (E_RNA)
where:
Base-Base interactions energy: -223.843
where: short stacking energy: -89.814
Base-Backbone interact. energy: -0.037
local terms energy: -111.739828
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -31.676
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: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -335.355635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.355635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.355635 (E_RNA)
where:
Base-Base interactions energy: -226.638
where: short stacking energy: -95.137
Base-Backbone interact. energy: 0.355
local terms energy: -109.072949
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -328.057572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.057572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057572 (E_RNA)
where:
Base-Base interactions energy: -233.412
where: short stacking energy: -94.271
Base-Backbone interact. energy: -0.014
local terms energy: -94.631674
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -31.856
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: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -288.445082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.445082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.445082 (E_RNA)
where:
Base-Base interactions energy: -198.993
where: short stacking energy: -79.921
Base-Backbone interact. energy: -0.159
local terms energy: -89.293538
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -104.142967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.142967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.142967 (E_RNA)
where:
Base-Base interactions energy: -36.431
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.505
local terms energy: -67.206831
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -95.041261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.041261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.041261 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -21.437
Base-Backbone interact. energy: -0.472
local terms energy: -65.175196
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: 1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -364.510473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.510473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.510473 (E_RNA)
where:
Base-Base interactions energy: -245.755
where: short stacking energy: -96.443
Base-Backbone interact. energy: -0.002
local terms energy: -118.753834
where:
bonds (distance) C4'-P energy: -24.390
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -34.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -358.751234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.751234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.751234 (E_RNA)
where:
Base-Base interactions energy: -244.864
where: short stacking energy: -96.650
Base-Backbone interact. energy: 1.214
local terms energy: -115.100625
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -32.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -351.238881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.238881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.238881 (E_RNA)
where:
Base-Base interactions energy: -236.812
where: short stacking energy: -96.407
Base-Backbone interact. energy: -0.096
local terms energy: -114.331210
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -35.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -336.870300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.870300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.870300 (E_RNA)
where:
Base-Base interactions energy: -224.702
where: short stacking energy: -86.541
Base-Backbone interact. energy: -0.106
local terms energy: -112.062272
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -31.232
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: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -333.794989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.794989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.794989 (E_RNA)
where:
Base-Base interactions energy: -232.128
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.306
local terms energy: -101.361391
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -315.083085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.083085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.083085 (E_RNA)
where:
Base-Base interactions energy: -212.939
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.381
local terms energy: -101.762374
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -27.346
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -327.431483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.431483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.431483 (E_RNA)
where:
Base-Base interactions energy: -223.672
where: short stacking energy: -87.399
Base-Backbone interact. energy: -0.011
local terms energy: -103.748795
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -32.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -284.815926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.815926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.815926 (E_RNA)
where:
Base-Base interactions energy: -191.190
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.188
local terms energy: -93.438132
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -119.329809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.329809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.329809 (E_RNA)
where:
Base-Base interactions energy: -43.453
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.335
local terms energy: -75.541157
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -15.545
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -95.560328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.560328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.560328 (E_RNA)
where:
Base-Base interactions energy: -28.144
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.977
local terms energy: -66.438623
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -363.607406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.607406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.607406 (E_RNA)
where:
Base-Base interactions energy: -249.244
where: short stacking energy: -106.400
Base-Backbone interact. energy: -0.005
local terms energy: -114.358381
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -32.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -359.647439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.647439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.647439 (E_RNA)
where:
Base-Base interactions energy: -242.485
where: short stacking energy: -96.554
Base-Backbone interact. energy: -0.012
local terms energy: -117.150341
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -32.353
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: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -349.871722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.871722 (E_RNA)
where:
Base-Base interactions energy: -235.994
where: short stacking energy: -99.494
Base-Backbone interact. energy: 0.002
local terms energy: -113.879882
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -336.759877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.759877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.759877 (E_RNA)
where:
Base-Base interactions energy: -230.290
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.030
local terms energy: -106.440445
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -33.015
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: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -336.228269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.228269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.228269 (E_RNA)
where:
Base-Base interactions energy: -225.174
where: short stacking energy: -90.267
Base-Backbone interact. energy: -0.155
local terms energy: -110.899544
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -30.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -332.158979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.158979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.158979 (E_RNA)
where:
Base-Base interactions energy: -223.424
where: short stacking energy: -92.323
Base-Backbone interact. energy: -0.001
local terms energy: -108.734026
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -306.730876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.730876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.730876 (E_RNA)
where:
Base-Base interactions energy: -204.861
where: short stacking energy: -87.066
Base-Backbone interact. energy: -0.026
local terms energy: -101.844358
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -31.342
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: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -278.891191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.891191 (E_RNA)
where:
Base-Base interactions energy: -178.790
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.051
local terms energy: -100.050764
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -28.516
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: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -109.433078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.433078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.433078 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -29.745
Base-Backbone interact. energy: -1.167
local terms energy: -63.875968
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -14.026
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: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -103.657641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.657641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.657641 (E_RNA)
where:
Base-Base interactions energy: -48.282
where: short stacking energy: -29.050
Base-Backbone interact. energy: 0.001
local terms energy: -55.376602
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -367.554643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.554643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.554643 (E_RNA)
where:
Base-Base interactions energy: -244.573
where: short stacking energy: -105.768
Base-Backbone interact. energy: -0.008
local terms energy: -122.973688
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -25.892
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -32.655
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: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -368.151552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.151552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.151552 (E_RNA)
where:
Base-Base interactions energy: -256.294
where: short stacking energy: -100.300
Base-Backbone interact. energy: -0.005
local terms energy: -111.853102
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -23.467
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -35.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -350.711426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.711426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.711426 (E_RNA)
where:
Base-Base interactions energy: -239.175
where: short stacking energy: -94.816
Base-Backbone interact. energy: -0.108
local terms energy: -111.428658
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -34.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -336.025106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.025106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.025106 (E_RNA)
where:
Base-Base interactions energy: -224.276
where: short stacking energy: -90.200
Base-Backbone interact. energy: -0.004
local terms energy: -111.745222
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -32.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -308.214716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.214716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.214716 (E_RNA)
where:
Base-Base interactions energy: -208.228
where: short stacking energy: -86.869
Base-Backbone interact. energy: -0.134
local terms energy: -99.853457
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -25.540
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -302.592715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.592715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.592715 (E_RNA)
where:
Base-Base interactions energy: -203.980
where: short stacking energy: -82.489
Base-Backbone interact. energy: 0.347
local terms energy: -98.960189
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -22.776
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: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -321.784754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.784754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.784754 (E_RNA)
where:
Base-Base interactions energy: -218.107
where: short stacking energy: -85.733
Base-Backbone interact. energy: -0.579
local terms energy: -103.098053
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -272.242877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.242877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.242877 (E_RNA)
where:
Base-Base interactions energy: -188.942
where: short stacking energy: -72.992
Base-Backbone interact. energy: -0.658
local terms energy: -82.643043
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -114.137131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.137131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.137131 (E_RNA)
where:
Base-Base interactions energy: -50.169
where: short stacking energy: -36.192
Base-Backbone interact. energy: -0.493
local terms energy: -63.475055
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -100.803697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.803697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.803697 (E_RNA)
where:
Base-Base interactions energy: -43.297
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.404
local terms energy: -57.102830
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.101
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: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -356.493816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.493816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.493816 (E_RNA)
where:
Base-Base interactions energy: -242.731
where: short stacking energy: -100.204
Base-Backbone interact. energy: -0.301
local terms energy: -113.461939
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -31.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -348.181248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.181248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.181248 (E_RNA)
where:
Base-Base interactions energy: -242.908
where: short stacking energy: -92.111
Base-Backbone interact. energy: 0.587
local terms energy: -105.860360
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -32.048
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: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -348.032105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.032105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.032105 (E_RNA)
where:
Base-Base interactions energy: -229.595
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.553
local terms energy: -117.884034
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -31.009
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: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -350.588861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.588861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.588861 (E_RNA)
where:
Base-Base interactions energy: -237.146
where: short stacking energy: -93.576
Base-Backbone interact. energy: -0.227
local terms energy: -113.216241
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -335.084195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.084195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.084195 (E_RNA)
where:
Base-Base interactions energy: -228.432
where: short stacking energy: -94.145
Base-Backbone interact. energy: -0.067
local terms energy: -106.585162
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -31.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -320.278920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.278920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.278920 (E_RNA)
where:
Base-Base interactions energy: -219.557
where: short stacking energy: -86.793
Base-Backbone interact. energy: 1.272
local terms energy: -101.993840
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -26.732
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: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -325.703649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.703649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.703649 (E_RNA)
where:
Base-Base interactions energy: -218.688
where: short stacking energy: -86.428
Base-Backbone interact. energy: -0.062
local terms energy: -106.953252
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -277.931587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.931587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.931587 (E_RNA)
where:
Base-Base interactions energy: -185.209
where: short stacking energy: -71.960
Base-Backbone interact. energy: 0.328
local terms energy: -93.050749
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -106.055339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.055339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.055339 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.264
local terms energy: -74.323711
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -11.538
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: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -94.163812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.163812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.163812 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -8.695
Base-Backbone interact. energy: -0.576
local terms energy: -51.635365
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: 7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -360.987100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.987100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.987100 (E_RNA)
where:
Base-Base interactions energy: -247.218
where: short stacking energy: -100.666
Base-Backbone interact. energy: -0.008
local terms energy: -113.761125
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -33.158
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: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -353.386055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.386055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.386055 (E_RNA)
where:
Base-Base interactions energy: -238.997
where: short stacking energy: -95.745
Base-Backbone interact. energy: -0.001
local terms energy: -114.388404
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -31.927
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: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -343.197445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.197445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.197445 (E_RNA)
where:
Base-Base interactions energy: -239.276
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.350
local terms energy: -103.571746
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -31.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -338.611247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.611247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.611247 (E_RNA)
where:
Base-Base interactions energy: -231.877
where: short stacking energy: -92.358
Base-Backbone interact. energy: -0.044
local terms energy: -106.689978
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -339.456516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.456516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.456516 (E_RNA)
where:
Base-Base interactions energy: -231.888
where: short stacking energy: -98.403
Base-Backbone interact. energy: -0.005
local terms energy: -107.563131
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -329.903893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.903893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.903893 (E_RNA)
where:
Base-Base interactions energy: -224.694
where: short stacking energy: -87.130
Base-Backbone interact. energy: -0.002
local terms energy: -105.208637
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -310.588288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.588288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.588288 (E_RNA)
where:
Base-Base interactions energy: -215.696
where: short stacking energy: -82.796
Base-Backbone interact. energy: -0.426
local terms energy: -94.466936
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -299.412665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.412665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.412665 (E_RNA)
where:
Base-Base interactions energy: -204.228
where: short stacking energy: -82.457
Base-Backbone interact. energy: -1.387
local terms energy: -93.797651
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -105.939884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.939884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.939884 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -35.283
Base-Backbone interact. energy: -0.155
local terms energy: -70.502055
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -104.547321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.547321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.547321 (E_RNA)
where:
Base-Base interactions energy: -50.592
where: short stacking energy: -24.033
Base-Backbone interact. energy: 1.289
local terms energy: -55.244825
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -5.970
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: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -363.815292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.815292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.815292 (E_RNA)
where:
Base-Base interactions energy: -239.653
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.174
local terms energy: -123.988872
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -32.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -359.004508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.004508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.004508 (E_RNA)
where:
Base-Base interactions energy: -244.606
where: short stacking energy: -104.995
Base-Backbone interact. energy: -1.182
local terms energy: -113.216328
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -33.424
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: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -351.860484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.860484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.860484 (E_RNA)
where:
Base-Base interactions energy: -242.470
where: short stacking energy: -104.042
Base-Backbone interact. energy: -0.180
local terms energy: -109.210385
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -346.560062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.560062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.560062 (E_RNA)
where:
Base-Base interactions energy: -237.149
where: short stacking energy: -93.244
Base-Backbone interact. energy: -0.052
local terms energy: -109.359156
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -29.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -340.762672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.762672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.762672 (E_RNA)
where:
Base-Base interactions energy: -233.762
where: short stacking energy: -92.604
Base-Backbone interact. energy: -0.111
local terms energy: -106.889168
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -318.118297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.118297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.118297 (E_RNA)
where:
Base-Base interactions energy: -209.501
where: short stacking energy: -81.995
Base-Backbone interact. energy: -0.150
local terms energy: -108.466589
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -303.286864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.286864 (E_RNA)
where:
Base-Base interactions energy: -215.783
where: short stacking energy: -83.719
Base-Backbone interact. energy: -0.006
local terms energy: -87.498595
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -307.838669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.838669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.838669 (E_RNA)
where:
Base-Base interactions energy: -211.934
where: short stacking energy: -77.258
Base-Backbone interact. energy: -0.369
local terms energy: -95.536071
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -25.034
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: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -111.493552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.493552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.493552 (E_RNA)
where:
Base-Base interactions energy: -54.734
where: short stacking energy: -27.988
Base-Backbone interact. energy: 1.040
local terms energy: -57.799444
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -94.910321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.910321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.910321 (E_RNA)
where:
Base-Base interactions energy: -23.938
where: short stacking energy: -20.756
Base-Backbone interact. energy: -0.240
local terms energy: -70.732636
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -361.321416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.321416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.321416 (E_RNA)
where:
Base-Base interactions energy: -237.292
where: short stacking energy: -96.601
Base-Backbone interact. energy: -0.087
local terms energy: -123.942405
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -36.431
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: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -354.746815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.746815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.746815 (E_RNA)
where:
Base-Base interactions energy: -236.484
where: short stacking energy: -98.432
Base-Backbone interact. energy: -1.204
local terms energy: -117.059461
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -33.551
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: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -355.665002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.665002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.665002 (E_RNA)
where:
Base-Base interactions energy: -241.362
where: short stacking energy: -94.614
Base-Backbone interact. energy: -0.016
local terms energy: -114.287094
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -34.057
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: 483
Temperature: 1.050000
Total energy: -327.794814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.794814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.794814 (E_RNA)
where:
Base-Base interactions energy: -225.383
where: short stacking energy: -89.305
Base-Backbone interact. energy: -0.197
local terms energy: -102.214615
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -338.885649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.885649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.885649 (E_RNA)
where:
Base-Base interactions energy: -228.834
where: short stacking energy: -96.183
Base-Backbone interact. energy: -0.066
local terms energy: -109.985586
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -33.907
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: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -283.062171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.062171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.062171 (E_RNA)
where:
Base-Base interactions energy: -194.382
where: short stacking energy: -80.137
Base-Backbone interact. energy: -0.066
local terms energy: -88.613879
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -294.952141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.952141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.952141 (E_RNA)
where:
Base-Base interactions energy: -200.467
where: short stacking energy: -80.014
Base-Backbone interact. energy: -0.006
local terms energy: -94.479776
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -26.889
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: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -303.872192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.872192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.872192 (E_RNA)
where:
Base-Base interactions energy: -204.458
where: short stacking energy: -81.314
Base-Backbone interact. energy: 0.020
local terms energy: -99.433802
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -111.023426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.023426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.023426 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.375
local terms energy: -65.422080
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -95.255092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.255092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.255092 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.702
local terms energy: -59.586623
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -373.265138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.265138 (E_RNA)
where:
Base-Base interactions energy: -258.291
where: short stacking energy: -107.399
Base-Backbone interact. energy: -0.011
local terms energy: -114.962921
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -35.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -355.760753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.760753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.760753 (E_RNA)
where:
Base-Base interactions energy: -237.351
where: short stacking energy: -94.004
Base-Backbone interact. energy: -0.440
local terms energy: -117.969064
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -33.671
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: 484
Temperature: 1.000000
Total energy: -352.328343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.328343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.328343 (E_RNA)
where:
Base-Base interactions energy: -238.240
where: short stacking energy: -94.442
Base-Backbone interact. energy: 1.880
local terms energy: -115.968706
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -347.323185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.323185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.323185 (E_RNA)
where:
Base-Base interactions energy: -233.422
where: short stacking energy: -98.649
Base-Backbone interact. energy: 0.402
local terms energy: -114.302813
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -32.182
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: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -309.965216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.965216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.965216 (E_RNA)
where:
Base-Base interactions energy: -204.956
where: short stacking energy: -83.890
Base-Backbone interact. energy: -0.470
local terms energy: -104.539530
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -334.435970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.435970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.435970 (E_RNA)
where:
Base-Base interactions energy: -234.047
where: short stacking energy: -91.814
Base-Backbone interact. energy: -0.003
local terms energy: -100.386625
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -328.811527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.811527 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.106
local terms energy: -99.350107
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -29.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -305.114838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.114838 (E_RNA)
where:
Base-Base interactions energy: -204.770
where: short stacking energy: -85.645
Base-Backbone interact. energy: -0.003
local terms energy: -100.342526
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -114.999296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.999296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.999296 (E_RNA)
where:
Base-Base interactions energy: -54.503
where: short stacking energy: -32.999
Base-Backbone interact. energy: 0.306
local terms energy: -60.801730
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -98.405997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.405997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.405997 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -23.778
Base-Backbone interact. energy: -0.223
local terms energy: -63.616342
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -371.267809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.267809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.267809 (E_RNA)
where:
Base-Base interactions energy: -259.189
where: short stacking energy: -104.625
Base-Backbone interact. energy: -0.003
local terms energy: -112.076474
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -35.160
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: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -359.206833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.206833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.206833 (E_RNA)
where:
Base-Base interactions energy: -237.927
where: short stacking energy: -99.517
Base-Backbone interact. energy: -0.015
local terms energy: -121.264577
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -34.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -356.139530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.139530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.139530 (E_RNA)
where:
Base-Base interactions energy: -247.358
where: short stacking energy: -101.056
Base-Backbone interact. energy: 0.825
local terms energy: -109.606379
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -30.170
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: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -349.123687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.123687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.123687 (E_RNA)
where:
Base-Base interactions energy: -236.683
where: short stacking energy: -99.282
Base-Backbone interact. energy: -0.398
local terms energy: -112.042426
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -27.494
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -318.850464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.850464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.850464 (E_RNA)
where:
Base-Base interactions energy: -219.206
where: short stacking energy: -85.084
Base-Backbone interact. energy: -0.255
local terms energy: -99.389415
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -325.500187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.500187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.500187 (E_RNA)
where:
Base-Base interactions energy: -223.382
where: short stacking energy: -93.999
Base-Backbone interact. energy: -0.114
local terms energy: -102.004786
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -33.084
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: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -293.699563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.699563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.699563 (E_RNA)
where:
Base-Base interactions energy: -196.163
where: short stacking energy: -76.499
Base-Backbone interact. energy: -0.203
local terms energy: -97.333648
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -309.224539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.224539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.224539 (E_RNA)
where:
Base-Base interactions energy: -217.469
where: short stacking energy: -80.540
Base-Backbone interact. energy: -0.702
local terms energy: -91.053906
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -98.150231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.150231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.150231 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.179
local terms energy: -60.148574
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -101.612526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.612526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.612526 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.247
local terms energy: -66.374394
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -11.982
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: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -357.557230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.557230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.557230 (E_RNA)
where:
Base-Base interactions energy: -235.030
where: short stacking energy: -101.138
Base-Backbone interact. energy: -0.001
local terms energy: -122.525987
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -35.929
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: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -359.686899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.686899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.686899 (E_RNA)
where:
Base-Base interactions energy: -251.197
where: short stacking energy: -98.514
Base-Backbone interact. energy: -0.061
local terms energy: -108.429463
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -32.943
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: 486
Temperature: 1.000000
Total energy: -350.237227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.237227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.237227 (E_RNA)
where:
Base-Base interactions energy: -243.555
where: short stacking energy: -101.123
Base-Backbone interact. energy: -0.024
local terms energy: -106.657839
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -27.993
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: 486
Temperature: 1.050000
Total energy: -339.261909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.261909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.261909 (E_RNA)
where:
Base-Base interactions energy: -235.260
where: short stacking energy: -96.130
Base-Backbone interact. energy: -0.009
local terms energy: -103.993520
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -31.877
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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -331.262407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.262407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.262407 (E_RNA)
where:
Base-Base interactions energy: -220.195
where: short stacking energy: -86.329
Base-Backbone interact. energy: -0.551
local terms energy: -110.516806
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -32.316
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -306.497758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.497758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.497758 (E_RNA)
where:
Base-Base interactions energy: -211.485
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.406
local terms energy: -94.606699
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -21.480
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: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -303.557759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.557759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.557759 (E_RNA)
where:
Base-Base interactions energy: -202.578
where: short stacking energy: -73.495
Base-Backbone interact. energy: 0.155
local terms energy: -101.135542
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -25.700
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -280.256411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.256411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.256411 (E_RNA)
where:
Base-Base interactions energy: -185.442
where: short stacking energy: -74.618
Base-Backbone interact. energy: -0.116
local terms energy: -94.699069
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -21.746
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: 486
Temperature: 1.300000
Total energy: -103.961074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.961074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.961074 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -26.265
Base-Backbone interact. energy: -0.116
local terms energy: -64.220846
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -94.612299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.612299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.612299 (E_RNA)
where:
Base-Base interactions energy: -38.288
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.309
local terms energy: -56.015000
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -364.094139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.094139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.094139 (E_RNA)
where:
Base-Base interactions energy: -242.450
where: short stacking energy: -93.445
Base-Backbone interact. energy: -0.023
local terms energy: -121.620652
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -31.721
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: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -357.613177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.613177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.613177 (E_RNA)
where:
Base-Base interactions energy: -238.914
where: short stacking energy: -99.604
Base-Backbone interact. energy: -0.054
local terms energy: -118.645652
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -355.093251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.093251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.093251 (E_RNA)
where:
Base-Base interactions energy: -248.570
where: short stacking energy: -99.438
Base-Backbone interact. energy: -0.013
local terms energy: -106.510635
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -31.450
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: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -330.679681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.679681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.679681 (E_RNA)
where:
Base-Base interactions energy: -231.212
where: short stacking energy: -93.741
Base-Backbone interact. energy: 2.127
local terms energy: -101.594595
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -332.152027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.152027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.152027 (E_RNA)
where:
Base-Base interactions energy: -229.106
where: short stacking energy: -97.452
Base-Backbone interact. energy: -0.004
local terms energy: -103.042062
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -31.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -309.686627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.686627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.686627 (E_RNA)
where:
Base-Base interactions energy: -211.159
where: short stacking energy: -84.059
Base-Backbone interact. energy: 0.461
local terms energy: -98.988669
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -27.662
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: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -303.788610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.788610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.788610 (E_RNA)
where:
Base-Base interactions energy: -209.588
where: short stacking energy: -88.448
Base-Backbone interact. energy: 0.148
local terms energy: -94.348592
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -288.069411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.069411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.069411 (E_RNA)
where:
Base-Base interactions energy: -197.415
where: short stacking energy: -77.258
Base-Backbone interact. energy: 0.574
local terms energy: -91.228516
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -105.722504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.722504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.722504 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -16.989
Base-Backbone interact. energy: 0.243
local terms energy: -67.051562
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -9.850
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -97.634412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.634412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.634412 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.046
local terms energy: -68.360686
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -357.949849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.949849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.949849 (E_RNA)
where:
Base-Base interactions energy: -251.623
where: short stacking energy: -92.251
Base-Backbone interact. energy: 0.222
local terms energy: -106.548775
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -29.816
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: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -356.290370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.290370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.290370 (E_RNA)
where:
Base-Base interactions energy: -241.875
where: short stacking energy: -96.778
Base-Backbone interact. energy: -0.553
local terms energy: -113.862493
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -341.089677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.089677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.089677 (E_RNA)
where:
Base-Base interactions energy: -233.762
where: short stacking energy: -88.050
Base-Backbone interact. energy: -0.005
local terms energy: -107.323044
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -27.530
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: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -339.552787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.552787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.552787 (E_RNA)
where:
Base-Base interactions energy: -229.779
where: short stacking energy: -90.431
Base-Backbone interact. energy: -0.108
local terms energy: -109.665421
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -23.175
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -334.142455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.142455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.142455 (E_RNA)
where:
Base-Base interactions energy: -225.792
where: short stacking energy: -92.728
Base-Backbone interact. energy: -0.016
local terms energy: -108.334300
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -30.958
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: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -318.324436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.324436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.324436 (E_RNA)
where:
Base-Base interactions energy: -215.564
where: short stacking energy: -86.361
Base-Backbone interact. energy: 0.007
local terms energy: -102.767563
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -32.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -312.487693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.487693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.487693 (E_RNA)
where:
Base-Base interactions energy: -211.731
where: short stacking energy: -88.007
Base-Backbone interact. energy: -0.276
local terms energy: -100.480759
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -29.303
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: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -310.610567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.610567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.610567 (E_RNA)
where:
Base-Base interactions energy: -208.085
where: short stacking energy: -80.449
Base-Backbone interact. energy: -0.134
local terms energy: -102.391357
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -26.478
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: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -98.130138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.130138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.130138 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -30.187
Base-Backbone interact. energy: 0.117
local terms energy: -68.060318
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -12.486
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: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -98.648990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.648990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.648990 (E_RNA)
where:
Base-Base interactions energy: -28.470
where: short stacking energy: -27.272
Base-Backbone interact. energy: 0.696
local terms energy: -70.874209
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: 0.858
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: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -367.610797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.610797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.610797 (E_RNA)
where:
Base-Base interactions energy: -251.760
where: short stacking energy: -106.813
Base-Backbone interact. energy: -0.400
local terms energy: -115.450557
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -35.162
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: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -356.804110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.804110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.804110 (E_RNA)
where:
Base-Base interactions energy: -243.171
where: short stacking energy: -101.259
Base-Backbone interact. energy: -0.611
local terms energy: -113.022422
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -35.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -351.075845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.075845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.075845 (E_RNA)
where:
Base-Base interactions energy: -237.255
where: short stacking energy: -93.942
Base-Backbone interact. energy: 0.603
local terms energy: -114.423259
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -33.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -341.136798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.136798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.136798 (E_RNA)
where:
Base-Base interactions energy: -227.195
where: short stacking energy: -89.236
Base-Backbone interact. energy: -0.022
local terms energy: -113.919800
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -347.957175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.957175 (E_RNA)
where:
Base-Base interactions energy: -239.568
where: short stacking energy: -99.855
Base-Backbone interact. energy: -0.050
local terms energy: -108.339059
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -34.652
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: 489
Temperature: 1.150000
Total energy: -300.327625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.327625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.327625 (E_RNA)
where:
Base-Base interactions energy: -207.802
where: short stacking energy: -82.955
Base-Backbone interact. energy: -0.018
local terms energy: -92.507336
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -308.745167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.745167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.745167 (E_RNA)
where:
Base-Base interactions energy: -209.337
where: short stacking energy: -76.078
Base-Backbone interact. energy: 0.163
local terms energy: -99.570985
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -27.314
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: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -304.728357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.728357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.728357 (E_RNA)
where:
Base-Base interactions energy: -202.296
where: short stacking energy: -84.393
Base-Backbone interact. energy: -0.085
local terms energy: -102.347839
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -102.668748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.668748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.668748 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -22.384
Base-Backbone interact. energy: -0.356
local terms energy: -71.996393
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.752
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -105.489388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.489388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.489388 (E_RNA)
where:
Base-Base interactions energy: -49.777
where: short stacking energy: -14.443
Base-Backbone interact. energy: 1.700
local terms energy: -57.412254
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: 5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -371.793059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.793059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.793059 (E_RNA)
where:
Base-Base interactions energy: -248.640
where: short stacking energy: -106.995
Base-Backbone interact. energy: -0.002
local terms energy: -123.151225
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -33.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -360.553138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.553138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.553138 (E_RNA)
where:
Base-Base interactions energy: -243.797
where: short stacking energy: -102.034
Base-Backbone interact. energy: -0.700
local terms energy: -116.055461
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -32.345
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -352.506306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.506306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.506306 (E_RNA)
where:
Base-Base interactions energy: -237.736
where: short stacking energy: -96.169
Base-Backbone interact. energy: -0.001
local terms energy: -114.769529
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -32.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -350.582139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.582139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.582139 (E_RNA)
where:
Base-Base interactions energy: -236.703
where: short stacking energy: -100.607
Base-Backbone interact. energy: -0.001
local terms energy: -113.878320
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -37.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -336.656275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.656275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.656275 (E_RNA)
where:
Base-Base interactions energy: -225.923
where: short stacking energy: -83.184
Base-Backbone interact. energy: -0.058
local terms energy: -110.674496
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -33.226
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: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -299.913632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.913632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.913632 (E_RNA)
where:
Base-Base interactions energy: -203.771
where: short stacking energy: -84.701
Base-Backbone interact. energy: -0.133
local terms energy: -96.010352
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -316.165377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.165377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.165377 (E_RNA)
where:
Base-Base interactions energy: -218.684
where: short stacking energy: -89.417
Base-Backbone interact. energy: -1.190
local terms energy: -96.291678
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -312.227351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.227351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.227351 (E_RNA)
where:
Base-Base interactions energy: -225.185
where: short stacking energy: -84.124
Base-Backbone interact. energy: -0.587
local terms energy: -86.455691
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -27.130
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: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -105.023620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023620 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -21.495
Base-Backbone interact. energy: -1.135
local terms energy: -61.444493
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -6.334
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: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -102.700769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.700769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.700769 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -25.127
Base-Backbone interact. energy: -0.923
local terms energy: -62.432857
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -360.518168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.518168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.518168 (E_RNA)
where:
Base-Base interactions energy: -243.306
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.556
local terms energy: -116.656082
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -35.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -359.375804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.375804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.375804 (E_RNA)
where:
Base-Base interactions energy: -239.294
where: short stacking energy: -100.121
Base-Backbone interact. energy: -1.054
local terms energy: -119.027121
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -32.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -352.443327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.443327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.443327 (E_RNA)
where:
Base-Base interactions energy: -241.441
where: short stacking energy: -96.352
Base-Backbone interact. energy: -0.112
local terms energy: -110.891033
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -29.754
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -353.007284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.007284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.007284 (E_RNA)
where:
Base-Base interactions energy: -239.476
where: short stacking energy: -95.831
Base-Backbone interact. energy: -0.009
local terms energy: -113.522543
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -32.591
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: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -330.384083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.384083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.384083 (E_RNA)
where:
Base-Base interactions energy: -226.849
where: short stacking energy: -85.836
Base-Backbone interact. energy: -0.064
local terms energy: -103.470930
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -326.618760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.618760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.618760 (E_RNA)
where:
Base-Base interactions energy: -224.520
where: short stacking energy: -92.802
Base-Backbone interact. energy: -0.034
local terms energy: -102.064076
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -28.981
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -307.818956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.818956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.818956 (E_RNA)
where:
Base-Base interactions energy: -201.213
where: short stacking energy: -82.386
Base-Backbone interact. energy: -0.007
local terms energy: -106.598989
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -33.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -295.913711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.913711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.913711 (E_RNA)
where:
Base-Base interactions energy: -199.830
where: short stacking energy: -82.213
Base-Backbone interact. energy: -0.059
local terms energy: -96.024591
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -25.789
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: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -99.422806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422806 (E_RNA)
where:
Base-Base interactions energy: -38.855
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.133
local terms energy: -60.434617
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: 4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -100.179149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179149 (E_RNA)
where:
Base-Base interactions energy: -28.913
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.485
local terms energy: -70.781242
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -9.505
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: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -369.563380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.563380 (E_RNA)
where:
Base-Base interactions energy: -259.879
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.093
local terms energy: -109.590709
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -351.984546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.984546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.984546 (E_RNA)
where:
Base-Base interactions energy: -242.370
where: short stacking energy: -94.505
Base-Backbone interact. energy: -0.489
local terms energy: -109.126300
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -359.478679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.478679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.478679 (E_RNA)
where:
Base-Base interactions energy: -243.362
where: short stacking energy: -99.830
Base-Backbone interact. energy: -0.080
local terms energy: -116.036575
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -34.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -351.592428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.592428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.592428 (E_RNA)
where:
Base-Base interactions energy: -245.971
where: short stacking energy: -95.640
Base-Backbone interact. energy: -0.012
local terms energy: -105.609679
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -332.816264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.816264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.816264 (E_RNA)
where:
Base-Base interactions energy: -227.308
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.040
local terms energy: -105.468464
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -317.081635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.081635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.081635 (E_RNA)
where:
Base-Base interactions energy: -218.302
where: short stacking energy: -82.077
Base-Backbone interact. energy: -0.208
local terms energy: -98.571216
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -308.754862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.754862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.754862 (E_RNA)
where:
Base-Base interactions energy: -213.866
where: short stacking energy: -79.315
Base-Backbone interact. energy: -0.099
local terms energy: -94.789815
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -27.303
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: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -310.072487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.072487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.072487 (E_RNA)
where:
Base-Base interactions energy: -211.701
where: short stacking energy: -84.872
Base-Backbone interact. energy: 0.406
local terms energy: -98.777296
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -29.516
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: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -100.151925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.151925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151925 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -29.672
Base-Backbone interact. energy: 0.743
local terms energy: -61.918996
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -16.588
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: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -99.976487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.976487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.976487 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -23.355
Base-Backbone interact. energy: -1.089
local terms energy: -62.972832
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: 6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -365.565889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.565889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.565889 (E_RNA)
where:
Base-Base interactions energy: -244.593
where: short stacking energy: -99.116
Base-Backbone interact. energy: -1.534
local terms energy: -119.438508
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -365.090101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.090101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.090101 (E_RNA)
where:
Base-Base interactions energy: -253.127
where: short stacking energy: -104.619
Base-Backbone interact. energy: -0.001
local terms energy: -111.962120
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -34.644
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: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -351.877699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.877699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.877699 (E_RNA)
where:
Base-Base interactions energy: -243.350
where: short stacking energy: -95.710
Base-Backbone interact. energy: 2.117
local terms energy: -110.644771
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -33.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -341.087558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.087558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.087558 (E_RNA)
where:
Base-Base interactions energy: -235.298
where: short stacking energy: -103.316
Base-Backbone interact. energy: -0.001
local terms energy: -105.787785
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -34.808
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -318.888440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.888440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.888440 (E_RNA)
where:
Base-Base interactions energy: -213.300
where: short stacking energy: -81.201
Base-Backbone interact. energy: -0.375
local terms energy: -105.213066
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -341.619064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.619064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.619064 (E_RNA)
where:
Base-Base interactions energy: -232.424
where: short stacking energy: -98.465
Base-Backbone interact. energy: -0.090
local terms energy: -109.105201
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -30.414
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: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -292.790272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.790272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.790272 (E_RNA)
where:
Base-Base interactions energy: -197.182
where: short stacking energy: -80.532
Base-Backbone interact. energy: -0.279
local terms energy: -95.328854
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -307.918720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.918720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.918720 (E_RNA)
where:
Base-Base interactions energy: -216.051
where: short stacking energy: -90.145
Base-Backbone interact. energy: 1.278
local terms energy: -93.145865
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -24.920
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: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -104.064242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.064242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.064242 (E_RNA)
where:
Base-Base interactions energy: -38.772
where: short stacking energy: -34.262
Base-Backbone interact. energy: -1.710
local terms energy: -63.582478
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -100.200603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200603 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -23.166
Base-Backbone interact. energy: -0.379
local terms energy: -64.296443
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -368.530181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.530181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.530181 (E_RNA)
where:
Base-Base interactions energy: -245.816
where: short stacking energy: -102.605
Base-Backbone interact. energy: -0.240
local terms energy: -122.473556
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -363.145971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.145971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.145971 (E_RNA)
where:
Base-Base interactions energy: -241.833
where: short stacking energy: -100.148
Base-Backbone interact. energy: -0.453
local terms energy: -120.860683
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -33.006
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: 494
Temperature: 1.000000
Total energy: -340.458720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.458720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.458720 (E_RNA)
where:
Base-Base interactions energy: -237.208
where: short stacking energy: -88.798
Base-Backbone interact. energy: -0.013
local terms energy: -103.237248
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -334.582026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.582026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.582026 (E_RNA)
where:
Base-Base interactions energy: -226.754
where: short stacking energy: -89.144
Base-Backbone interact. energy: -1.963
local terms energy: -105.865644
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -346.259970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.259970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.259970 (E_RNA)
where:
Base-Base interactions energy: -228.822
where: short stacking energy: -94.095
Base-Backbone interact. energy: -0.160
local terms energy: -117.277833
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -30.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -330.313443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.313443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.313443 (E_RNA)
where:
Base-Base interactions energy: -224.438
where: short stacking energy: -91.914
Base-Backbone interact. energy: 0.904
local terms energy: -106.778833
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -295.519011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.519011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.519011 (E_RNA)
where:
Base-Base interactions energy: -199.998
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.119
local terms energy: -95.402482
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -294.673097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.673097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.673097 (E_RNA)
where:
Base-Base interactions energy: -209.489
where: short stacking energy: -78.625
Base-Backbone interact. energy: 1.470
local terms energy: -86.653686
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -97.109387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.109387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.109387 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -13.750
Base-Backbone interact. energy: -0.284
local terms energy: -71.465292
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -15.096
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: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -94.242602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.242602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.242602 (E_RNA)
where:
Base-Base interactions energy: -26.271
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.295
local terms energy: -67.676265
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -362.376467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.376467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.376467 (E_RNA)
where:
Base-Base interactions energy: -242.447
where: short stacking energy: -103.352
Base-Backbone interact. energy: -0.000
local terms energy: -119.929426
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -35.011
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: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -358.909758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.909758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.909758 (E_RNA)
where:
Base-Base interactions energy: -249.287
where: short stacking energy: -97.066
Base-Backbone interact. energy: -0.101
local terms energy: -109.521060
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -32.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -355.924286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.924286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.924286 (E_RNA)
where:
Base-Base interactions energy: -240.880
where: short stacking energy: -98.742
Base-Backbone interact. energy: 0.893
local terms energy: -115.937308
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -342.701434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.701434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.701434 (E_RNA)
where:
Base-Base interactions energy: -231.625
where: short stacking energy: -96.435
Base-Backbone interact. energy: -0.008
local terms energy: -111.068405
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -32.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -335.926091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.926091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.926091 (E_RNA)
where:
Base-Base interactions energy: -226.569
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.051
local terms energy: -109.306504
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -30.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -335.870010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.870010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.870010 (E_RNA)
where:
Base-Base interactions energy: -228.138
where: short stacking energy: -95.178
Base-Backbone interact. energy: -0.042
local terms energy: -107.689818
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -33.500
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: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -310.601398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.601398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.601398 (E_RNA)
where:
Base-Base interactions energy: -213.334
where: short stacking energy: -83.744
Base-Backbone interact. energy: -0.187
local terms energy: -97.080603
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -302.907973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.907973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.907973 (E_RNA)
where:
Base-Base interactions energy: -206.391
where: short stacking energy: -78.506
Base-Backbone interact. energy: -0.003
local terms energy: -96.513546
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -26.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -107.941448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.941448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.941448 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -18.547
Base-Backbone interact. energy: -0.805
local terms energy: -81.716606
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -97.416891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.416891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.416891 (E_RNA)
where:
Base-Base interactions energy: -20.246
where: short stacking energy: -19.173
Base-Backbone interact. energy: -0.307
local terms energy: -76.863992
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -16.930
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: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -368.489286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.489286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.489286 (E_RNA)
where:
Base-Base interactions energy: -250.088
where: short stacking energy: -105.524
Base-Backbone interact. energy: -0.012
local terms energy: -118.389060
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -32.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -354.649569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.649569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.649569 (E_RNA)
where:
Base-Base interactions energy: -245.318
where: short stacking energy: -101.568
Base-Backbone interact. energy: -0.027
local terms energy: -109.304392
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -33.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -363.987127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.987127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.987127 (E_RNA)
where:
Base-Base interactions energy: -252.806
where: short stacking energy: -106.599
Base-Backbone interact. energy: -0.001
local terms energy: -111.180398
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -34.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -346.102797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.102797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.102797 (E_RNA)
where:
Base-Base interactions energy: -232.029
where: short stacking energy: -91.564
Base-Backbone interact. energy: -0.214
local terms energy: -113.859467
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -30.686
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: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -349.047450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.047450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.047450 (E_RNA)
where:
Base-Base interactions energy: -238.726
where: short stacking energy: -96.474
Base-Backbone interact. energy: 0.561
local terms energy: -110.882342
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -32.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -322.892637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.892637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.892637 (E_RNA)
where:
Base-Base interactions energy: -219.575
where: short stacking energy: -94.931
Base-Backbone interact. energy: -1.101
local terms energy: -102.216718
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -31.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -297.773325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.773325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.773325 (E_RNA)
where:
Base-Base interactions energy: -207.048
where: short stacking energy: -78.234
Base-Backbone interact. energy: -0.860
local terms energy: -89.865849
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -301.652441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.652441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.652441 (E_RNA)
where:
Base-Base interactions energy: -206.949
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.001
local terms energy: -94.702677
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -107.544316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.544316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.544316 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -29.162
Base-Backbone interact. energy: 0.801
local terms energy: -66.099097
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -6.146
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: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -102.409879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.409879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.409879 (E_RNA)
where:
Base-Base interactions energy: -42.709
where: short stacking energy: -21.394
Base-Backbone interact. energy: -0.243
local terms energy: -59.458160
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -368.051211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.051211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.051211 (E_RNA)
where:
Base-Base interactions energy: -256.054
where: short stacking energy: -106.227
Base-Backbone interact. energy: -0.001
local terms energy: -111.996338
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -34.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -349.688410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.688410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.688410 (E_RNA)
where:
Base-Base interactions energy: -237.219
where: short stacking energy: -99.594
Base-Backbone interact. energy: -0.056
local terms energy: -112.413515
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -346.514283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.514283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.514283 (E_RNA)
where:
Base-Base interactions energy: -237.297
where: short stacking energy: -93.095
Base-Backbone interact. energy: 0.113
local terms energy: -109.329576
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -31.254
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: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -350.044086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.044086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.044086 (E_RNA)
where:
Base-Base interactions energy: -240.898
where: short stacking energy: -101.894
Base-Backbone interact. energy: -0.012
local terms energy: -109.133494
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -33.323
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -333.946376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.946376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.946376 (E_RNA)
where:
Base-Base interactions energy: -234.841
where: short stacking energy: -93.744
Base-Backbone interact. energy: 0.877
local terms energy: -99.982131
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -28.716
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: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -307.387592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.387592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.387592 (E_RNA)
where:
Base-Base interactions energy: -205.225
where: short stacking energy: -79.310
Base-Backbone interact. energy: -0.081
local terms energy: -102.081302
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -28.096
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: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -322.331902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.331902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.331902 (E_RNA)
where:
Base-Base interactions energy: -214.720
where: short stacking energy: -88.152
Base-Backbone interact. energy: -0.114
local terms energy: -107.498059
where:
bonds (distance) C4'-P energy: -23.101
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -31.222
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -283.149446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.149446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.149446 (E_RNA)
where:
Base-Base interactions energy: -181.626
where: short stacking energy: -74.634
Base-Backbone interact. energy: -0.792
local terms energy: -100.731035
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -27.245
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: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -107.100538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.100538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.100538 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -22.950
Base-Backbone interact. energy: -0.392
local terms energy: -69.632559
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -15.393
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: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -89.965328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.965328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.965328 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -18.872
Base-Backbone interact. energy: -0.490
local terms energy: -55.892511
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -3.973
flat angles P-C4'-P energy: -13.144
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: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -366.768730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.768730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.768730 (E_RNA)
where:
Base-Base interactions energy: -247.189
where: short stacking energy: -98.840
Base-Backbone interact. energy: -0.157
local terms energy: -119.422244
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -32.472
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: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -354.631530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.631530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.631530 (E_RNA)
where:
Base-Base interactions energy: -244.467
where: short stacking energy: -97.509
Base-Backbone interact. energy: -0.118
local terms energy: -110.047313
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -32.438
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: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -345.670724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.670724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.670724 (E_RNA)
where:
Base-Base interactions energy: -237.402
where: short stacking energy: -91.283
Base-Backbone interact. energy: -0.873
local terms energy: -107.395887
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -31.919
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: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -346.225528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.225528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.225528 (E_RNA)
where:
Base-Base interactions energy: -240.127
where: short stacking energy: -98.676
Base-Backbone interact. energy: 0.224
local terms energy: -106.321897
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -33.803
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: 498
Temperature: 1.100000
Total energy: -327.232743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.232743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.232743 (E_RNA)
where:
Base-Base interactions energy: -220.102
where: short stacking energy: -86.346
Base-Backbone interact. energy: -0.063
local terms energy: -107.067492
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -30.620
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: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -323.378295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.378295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.378295 (E_RNA)
where:
Base-Base interactions energy: -229.246
where: short stacking energy: -89.556
Base-Backbone interact. energy: -0.010
local terms energy: -94.121675
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -294.911726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.911726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.911726 (E_RNA)
where:
Base-Base interactions energy: -193.217
where: short stacking energy: -76.169
Base-Backbone interact. energy: -0.135
local terms energy: -101.560228
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -295.635185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.635185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.635185 (E_RNA)
where:
Base-Base interactions energy: -187.974
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.081
local terms energy: -107.579807
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -35.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -111.498096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.498096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.498096 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.564
local terms energy: -81.147156
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -12.433
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: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -96.951291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.951291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.951291 (E_RNA)
where:
Base-Base interactions energy: -30.360
where: short stacking energy: -26.407
Base-Backbone interact. energy: 1.795
local terms energy: -68.385840
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -359.145604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.145604 (E_RNA)
where:
Base-Base interactions energy: -237.297
where: short stacking energy: -93.622
Base-Backbone interact. energy: -0.003
local terms energy: -121.845932
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -31.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -357.174825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.174825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.174825 (E_RNA)
where:
Base-Base interactions energy: -249.586
where: short stacking energy: -101.275
Base-Backbone interact. energy: -0.004
local terms energy: -107.584297
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -31.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -358.356352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.356352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.356352 (E_RNA)
where:
Base-Base interactions energy: -244.379
where: short stacking energy: -103.634
Base-Backbone interact. energy: 0.552
local terms energy: -114.529628
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -34.349
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: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -354.758729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.758729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.758729 (E_RNA)
where:
Base-Base interactions energy: -238.401
where: short stacking energy: -98.627
Base-Backbone interact. energy: -0.057
local terms energy: -116.299923
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -33.876
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: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -335.927120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.927120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.927120 (E_RNA)
where:
Base-Base interactions energy: -225.503
where: short stacking energy: -83.903
Base-Backbone interact. energy: -0.081
local terms energy: -110.342864
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -30.855
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: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -335.109706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.109706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.109706 (E_RNA)
where:
Base-Base interactions energy: -238.953
where: short stacking energy: -93.570
Base-Backbone interact. energy: 1.798
local terms energy: -97.954858
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -29.363
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: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -305.922761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.922761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.922761 (E_RNA)
where:
Base-Base interactions energy: -207.302
where: short stacking energy: -87.179
Base-Backbone interact. energy: -0.645
local terms energy: -97.975120
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -256.357845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.357845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.357845 (E_RNA)
where:
Base-Base interactions energy: -169.606
where: short stacking energy: -68.703
Base-Backbone interact. energy: 0.756
local terms energy: -87.507607
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -107.034105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.034105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.034105 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -24.258
Base-Backbone interact. energy: -0.086
local terms energy: -75.462846
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -113.213459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.213459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.213459 (E_RNA)
where:
Base-Base interactions energy: -65.855
where: short stacking energy: -24.780
Base-Backbone interact. energy: 1.790
local terms energy: -49.148390
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: 4.912
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: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -367.887452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.887452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.887452 (E_RNA)
where:
Base-Base interactions energy: -244.687
where: short stacking energy: -100.048
Base-Backbone interact. energy: -0.002
local terms energy: -123.198820
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -33.565
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: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -355.970154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.970154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.970154 (E_RNA)
where:
Base-Base interactions energy: -240.605
where: short stacking energy: -96.538
Base-Backbone interact. energy: -0.624
local terms energy: -114.741019
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -31.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -361.182069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.182069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.182069 (E_RNA)
where:
Base-Base interactions energy: -242.927
where: short stacking energy: -103.687
Base-Backbone interact. energy: -0.009
local terms energy: -118.245551
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -32.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -343.825546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.825546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.825546 (E_RNA)
where:
Base-Base interactions energy: -234.256
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.082
local terms energy: -109.487649
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -327.711800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.711800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.711800 (E_RNA)
where:
Base-Base interactions energy: -220.688
where: short stacking energy: -94.825
Base-Backbone interact. energy: -0.015
local terms energy: -107.008831
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -31.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -323.467717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.467717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.467717 (E_RNA)
where:
Base-Base interactions energy: -214.848
where: short stacking energy: -84.348
Base-Backbone interact. energy: -0.113
local terms energy: -108.506279
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -306.988813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.988813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.988813 (E_RNA)
where:
Base-Base interactions energy: -207.231
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.202
local terms energy: -99.555500
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -25.753
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: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -249.843055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.843055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.843055 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.008
local terms energy: -95.131939
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -107.241830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.241830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.241830 (E_RNA)
where:
Base-Base interactions energy: -43.835
where: short stacking energy: -29.518
Base-Backbone interact. energy: -0.166
local terms energy: -63.240993
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -107.326873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.326873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.326873 (E_RNA)
where:
Base-Base interactions energy: -43.747
where: short stacking energy: -25.189
Base-Backbone interact. energy: 0.468
local terms energy: -64.047811
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -362.234615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.234615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.234615 (E_RNA)
where:
Base-Base interactions energy: -242.014
where: short stacking energy: -93.749
Base-Backbone interact. energy: -0.716
local terms energy: -119.504493
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -30.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -352.762100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.762100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.762100 (E_RNA)
where:
Base-Base interactions energy: -227.375
where: short stacking energy: -95.049
Base-Backbone interact. energy: -0.053
local terms energy: -125.334919
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -32.773
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: 501
Temperature: 1.000000
Total energy: -350.564338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.564338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.564338 (E_RNA)
where:
Base-Base interactions energy: -234.096
where: short stacking energy: -96.485
Base-Backbone interact. energy: -0.043
local terms energy: -116.425237
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -350.882024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.882024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.882024 (E_RNA)
where:
Base-Base interactions energy: -243.408
where: short stacking energy: -92.753
Base-Backbone interact. energy: 0.858
local terms energy: -108.332272
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -29.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -338.169545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.169545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.169545 (E_RNA)
where:
Base-Base interactions energy: -232.454
where: short stacking energy: -96.143
Base-Backbone interact. energy: -0.019
local terms energy: -105.697013
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -315.638335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.638335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.638335 (E_RNA)
where:
Base-Base interactions energy: -220.075
where: short stacking energy: -93.020
Base-Backbone interact. energy: -0.090
local terms energy: -95.473094
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -29.032
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: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -305.504595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.504595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.504595 (E_RNA)
where:
Base-Base interactions energy: -209.149
where: short stacking energy: -76.067
Base-Backbone interact. energy: -0.418
local terms energy: -95.937414
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -28.051
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: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -248.955680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.955680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.955680 (E_RNA)
where:
Base-Base interactions energy: -160.582
where: short stacking energy: -58.806
Base-Backbone interact. energy: -0.055
local terms energy: -88.318633
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -113.692424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.692424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.692424 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.216
local terms energy: -69.823015
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -104.760556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.760556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.760556 (E_RNA)
where:
Base-Base interactions energy: -39.864
where: short stacking energy: -20.599
Base-Backbone interact. energy: 0.357
local terms energy: -65.254343
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -0.615
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)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16600078
moves confirmed later: 18506633
all moves confirmed: 35106711
percent of confirmed moves: 4.388339
current total energy: -317.578759
recalc. total energy: -317.578759
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18585591
moves confirmed later: 21000744
all moves confirmed: 39586335
percent of confirmed moves: 4.948292
current total energy: -294.577132
recalc. total energy: -294.577132
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15834190
moves confirmed later: 17552965
all moves confirmed: 33387155
percent of confirmed moves: 4.173394
current total energy: -318.233453
recalc. total energy: -318.233453
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 23622243
moves confirmed later: 27730602
all moves confirmed: 51352845
percent of confirmed moves: 6.419106
current total energy: -303.961025
recalc. total energy: -303.961025
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21962144
moves confirmed later: 25486397
all moves confirmed: 47448541
percent of confirmed moves: 5.931068
current total energy: -308.596480
recalc. total energy: -308.596480
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19757302
moves confirmed later: 22635558
all moves confirmed: 42392860
percent of confirmed moves: 5.299107
current total energy: -257.615148
recalc. total energy: -257.615148
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 22114755
moves confirmed later: 25654627
all moves confirmed: 47769382
percent of confirmed moves: 5.971173
current total energy: -252.482902
recalc. total energy: -252.482902
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16756170
moves confirmed later: 18760638
all moves confirmed: 35516808
percent of confirmed moves: 4.439601
current total energy: -180.380523
recalc. total energy: -180.380523
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 36776753
moves confirmed later: 44673851
all moves confirmed: 81450604
percent of confirmed moves: 10.181325
current total energy: -39.654304
recalc. total energy: -39.654304
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 38374196
moves confirmed later: 46693166
all moves confirmed: 85067362
percent of confirmed moves: 10.633420
current total energy: -35.891302
recalc. total energy: -35.891302
out arg RESULTS//1/FAM-31mer-d58371ec_01
Time of doing 8000000 iterations: 3202.841 seconds