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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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/Bmotif_short-0f24acaf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_short-0f24acaf/inputs/seq.fa: 1
curr_seq: _UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCU
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 46 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: 235
n_atoms_counter: 235
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 46.000000 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: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -184.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.674989 (E_RNA)
where:
Base-Base interactions energy: -5.289
where: short stacking energy: -5.289
Base-Backbone interact. energy: -0.000
local terms energy: -179.385628
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -259.107836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.107836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.107836 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -110.322
Base-Backbone interact. energy: -0.107
local terms energy: -136.557679
where:
bonds (distance) C4'-P energy: -28.599
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -37.025
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -25.086
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -326.996099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.996099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.996099 (E_RNA)
where:
Base-Base interactions energy: -186.667
where: short stacking energy: -106.870
Base-Backbone interact. energy: -0.252
local terms energy: -140.077519
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -272.257396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.257396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.257396 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -88.672
Base-Backbone interact. energy: 0.453
local terms energy: -140.119111
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -228.100461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.100461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100461 (E_RNA)
where:
Base-Base interactions energy: -101.775
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.560
local terms energy: -125.765761
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -12.343
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -196.990969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.990969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.990969 (E_RNA)
where:
Base-Base interactions energy: -83.391
where: short stacking energy: -79.011
Base-Backbone interact. energy: -0.454
local terms energy: -113.145305
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -29.634
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -183.714488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.714488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.714488 (E_RNA)
where:
Base-Base interactions energy: -8.258
where: short stacking energy: -8.258
Base-Backbone interact. energy: -0.000
local terms energy: -175.456138
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -183.852729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.852729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.852729 (E_RNA)
where:
Base-Base interactions energy: -74.814
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.355
local terms energy: -108.683955
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -12.813
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -183.490074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.490074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.490074 (E_RNA)
where:
Base-Base interactions energy: -5.083
where: short stacking energy: -5.083
Base-Backbone interact. energy: -0.000
local terms energy: -178.407243
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -183.489699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.489699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489699 (E_RNA)
where:
Base-Base interactions energy: -5.082
where: short stacking energy: -5.082
Base-Backbone interact. energy: -0.000
local terms energy: -178.407243
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -183.489318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.489318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489318 (E_RNA)
where:
Base-Base interactions energy: -5.082
where: short stacking energy: -5.082
Base-Backbone interact. energy: -0.000
local terms energy: -178.407243
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -285.227129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.227129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.227129 (E_RNA)
where:
Base-Base interactions energy: -127.900
where: short stacking energy: -114.939
Base-Backbone interact. energy: -0.013
local terms energy: -157.314092
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -344.311864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.311864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.311864 (E_RNA)
where:
Base-Base interactions energy: -209.557
where: short stacking energy: -94.925
Base-Backbone interact. energy: -0.607
local terms energy: -134.147891
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -294.023307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.023307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.023307 (E_RNA)
where:
Base-Base interactions energy: -164.546
where: short stacking energy: -88.194
Base-Backbone interact. energy: 0.879
local terms energy: -130.357096
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -224.871468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.871468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.871468 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -74.677
Base-Backbone interact. energy: -0.410
local terms energy: -110.060039
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -201.802556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.802556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.802556 (E_RNA)
where:
Base-Base interactions energy: -86.401
where: short stacking energy: -66.018
Base-Backbone interact. energy: 0.019
local terms energy: -115.420035
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -189.600806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.600806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.600806 (E_RNA)
where:
Base-Base interactions energy: -86.104
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.399
local terms energy: -103.098548
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -178.841831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.841831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.841831 (E_RNA)
where:
Base-Base interactions energy: -71.548
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.113
local terms energy: -107.180617
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -30.371
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -14.967
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: 3
Temperature: 1.250000
Total energy: -164.711782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.711782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.711782 (E_RNA)
where:
Base-Base interactions energy: -61.148
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.281
local terms energy: -103.283156
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -147.091127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091127 (E_RNA)
where:
Base-Base interactions energy: -63.433
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.466
local terms energy: -83.191497
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: 3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -141.890516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.890516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.890516 (E_RNA)
where:
Base-Base interactions energy: -61.350
where: short stacking energy: -41.289
Base-Backbone interact. energy: -0.785
local terms energy: -79.755459
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: 3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -413.843774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.843774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.843774 (E_RNA)
where:
Base-Base interactions energy: -276.532
where: short stacking energy: -113.253
Base-Backbone interact. energy: -0.733
local terms energy: -136.579048
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -33.967
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -268.498332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.498332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.498332 (E_RNA)
where:
Base-Base interactions energy: -144.045
where: short stacking energy: -99.334
Base-Backbone interact. energy: -0.545
local terms energy: -123.908073
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -318.793492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.793492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.793492 (E_RNA)
where:
Base-Base interactions energy: -196.545
where: short stacking energy: -96.938
Base-Backbone interact. energy: -0.660
local terms energy: -121.588348
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -17.259
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -219.224812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224812 (E_RNA)
where:
Base-Base interactions energy: -101.035
where: short stacking energy: -70.651
Base-Backbone interact. energy: -1.914
local terms energy: -116.275964
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -9.697
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -243.289127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.289127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.289127 (E_RNA)
where:
Base-Base interactions energy: -120.976
where: short stacking energy: -79.404
Base-Backbone interact. energy: 0.882
local terms energy: -123.194691
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -176.219814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.219814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.219814 (E_RNA)
where:
Base-Base interactions energy: -73.073
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.322
local terms energy: -102.824847
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -178.973810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.973810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.973810 (E_RNA)
where:
Base-Base interactions energy: -68.051
where: short stacking energy: -50.064
Base-Backbone interact. energy: 0.157
local terms energy: -111.079540
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -177.555609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.555609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.555609 (E_RNA)
where:
Base-Base interactions energy: -81.114
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.658
local terms energy: -95.783865
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -148.576531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.576531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.576531 (E_RNA)
where:
Base-Base interactions energy: -55.150
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.206
local terms energy: -93.220890
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -11.124
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -131.514103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.514103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.514103 (E_RNA)
where:
Base-Base interactions energy: -50.717
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.789
local terms energy: -80.008157
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: 5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -469.224085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.224085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.224085 (E_RNA)
where:
Base-Base interactions energy: -326.326
where: short stacking energy: -124.737
Base-Backbone interact. energy: 1.017
local terms energy: -143.914897
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -34.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -311.876518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.876518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.876518 (E_RNA)
where:
Base-Base interactions energy: -182.217
where: short stacking energy: -79.597
Base-Backbone interact. energy: -0.027
local terms energy: -129.632774
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -33.898
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -264.083594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.083594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.083594 (E_RNA)
where:
Base-Base interactions energy: -141.729
where: short stacking energy: -92.268
Base-Backbone interact. energy: -1.072
local terms energy: -121.282637
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -268.375217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.375217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.375217 (E_RNA)
where:
Base-Base interactions energy: -162.769
where: short stacking energy: -71.415
Base-Backbone interact. energy: 2.104
local terms energy: -107.710455
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -273.420320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.420320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.420320 (E_RNA)
where:
Base-Base interactions energy: -150.513
where: short stacking energy: -88.267
Base-Backbone interact. energy: -0.189
local terms energy: -122.718923
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -210.370205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.370205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.370205 (E_RNA)
where:
Base-Base interactions energy: -93.167
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.590
local terms energy: -116.613521
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -200.839544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.839544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.839544 (E_RNA)
where:
Base-Base interactions energy: -85.487
where: short stacking energy: -72.024
Base-Backbone interact. energy: 0.352
local terms energy: -115.705053
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -156.792009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.792009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.792009 (E_RNA)
where:
Base-Base interactions energy: -55.811
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.984
local terms energy: -99.997239
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -1.381
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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -152.192216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192216 (E_RNA)
where:
Base-Base interactions energy: -62.612
where: short stacking energy: -39.476
Base-Backbone interact. energy: -0.479
local terms energy: -89.100503
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -162.464910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.464910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.464910 (E_RNA)
where:
Base-Base interactions energy: -72.064
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.085
local terms energy: -90.316311
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -471.390393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.390393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.390393 (E_RNA)
where:
Base-Base interactions energy: -326.713
where: short stacking energy: -127.637
Base-Backbone interact. energy: -0.355
local terms energy: -144.322079
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -38.879
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -319.039784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.039784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.039784 (E_RNA)
where:
Base-Base interactions energy: -183.258
where: short stacking energy: -90.245
Base-Backbone interact. energy: -0.875
local terms energy: -134.906429
where:
bonds (distance) C4'-P energy: -34.100
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -31.431
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -274.039012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.039012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.039012 (E_RNA)
where:
Base-Base interactions energy: -157.229
where: short stacking energy: -84.545
Base-Backbone interact. energy: -0.813
local terms energy: -115.996745
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -250.719088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.719088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.719088 (E_RNA)
where:
Base-Base interactions energy: -120.763
where: short stacking energy: -93.494
Base-Backbone interact. energy: -1.324
local terms energy: -128.632076
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -26.331
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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -284.896688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.896688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.896688 (E_RNA)
where:
Base-Base interactions energy: -164.432
where: short stacking energy: -86.984
Base-Backbone interact. energy: 0.801
local terms energy: -121.264792
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -216.963628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963628 (E_RNA)
where:
Base-Base interactions energy: -100.724
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.191
local terms energy: -116.049076
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -154.363957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.363957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.363957 (E_RNA)
where:
Base-Base interactions energy: -53.469
where: short stacking energy: -53.469
Base-Backbone interact. energy: 0.182
local terms energy: -101.076916
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -166.731574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.731574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.731574 (E_RNA)
where:
Base-Base interactions energy: -73.654
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.477
local terms energy: -92.600815
where:
bonds (distance) C4'-P energy: -27.428
bonds (distance) P-C4' energy: -31.192
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: 4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -176.243716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.243716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.243716 (E_RNA)
where:
Base-Base interactions energy: -68.760
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.308
local terms energy: -107.175744
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -142.415153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.415153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.415153 (E_RNA)
where:
Base-Base interactions energy: -61.971
where: short stacking energy: -51.005
Base-Backbone interact. energy: -1.015
local terms energy: -79.428729
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -8.497
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -468.192362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.192362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.192362 (E_RNA)
where:
Base-Base interactions energy: -323.675
where: short stacking energy: -131.601
Base-Backbone interact. energy: -0.259
local terms energy: -144.258755
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -33.364
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -327.119621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.119621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.119621 (E_RNA)
where:
Base-Base interactions energy: -201.273
where: short stacking energy: -101.305
Base-Backbone interact. energy: -0.065
local terms energy: -125.781553
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -319.168544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.168544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.168544 (E_RNA)
where:
Base-Base interactions energy: -193.565
where: short stacking energy: -106.488
Base-Backbone interact. energy: -0.066
local terms energy: -125.537358
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -278.642770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.642770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.642770 (E_RNA)
where:
Base-Base interactions energy: -143.413
where: short stacking energy: -94.852
Base-Backbone interact. energy: -0.198
local terms energy: -135.031497
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -33.137
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -29.583
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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -256.912070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.912070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.912070 (E_RNA)
where:
Base-Base interactions energy: -121.313
where: short stacking energy: -85.426
Base-Backbone interact. energy: 0.683
local terms energy: -136.282479
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -36.051
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -188.925389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.925389 (E_RNA)
where:
Base-Base interactions energy: -73.802
where: short stacking energy: -73.802
Base-Backbone interact. energy: -2.423
local terms energy: -112.700209
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -165.481969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.481969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.481969 (E_RNA)
where:
Base-Base interactions energy: -56.182
where: short stacking energy: -36.492
Base-Backbone interact. energy: -0.251
local terms energy: -109.048835
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -207.130647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.130647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.130647 (E_RNA)
where:
Base-Base interactions energy: -94.031
where: short stacking energy: -72.557
Base-Backbone interact. energy: 0.126
local terms energy: -113.226145
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -179.425369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.425369 (E_RNA)
where:
Base-Base interactions energy: -72.784
where: short stacking energy: -59.209
Base-Backbone interact. energy: 0.537
local terms energy: -107.177585
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -125.692191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.692191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.692191 (E_RNA)
where:
Base-Base interactions energy: -31.125
where: short stacking energy: -25.143
Base-Backbone interact. energy: -0.875
local terms energy: -93.692873
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: 8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -475.125137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.125137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.125137 (E_RNA)
where:
Base-Base interactions energy: -327.615
where: short stacking energy: -138.201
Base-Backbone interact. energy: -0.285
local terms energy: -147.225084
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -33.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -357.980053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.980053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.980053 (E_RNA)
where:
Base-Base interactions energy: -225.406
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.441
local terms energy: -132.133532
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -299.746711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.746711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.746711 (E_RNA)
where:
Base-Base interactions energy: -167.210
where: short stacking energy: -92.713
Base-Backbone interact. energy: -0.840
local terms energy: -131.697166
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -271.467618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.467618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.467618 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.227
local terms energy: -123.741161
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -239.744125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.744125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.744125 (E_RNA)
where:
Base-Base interactions energy: -131.875
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.601
local terms energy: -107.268412
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -177.756027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756027 (E_RNA)
where:
Base-Base interactions energy: -67.530
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.375
local terms energy: -109.851140
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -33.091
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -180.728160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.728160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.728160 (E_RNA)
where:
Base-Base interactions energy: -65.128
where: short stacking energy: -51.335
Base-Backbone interact. energy: -0.022
local terms energy: -115.578065
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -142.281289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.281289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.281289 (E_RNA)
where:
Base-Base interactions energy: -51.037
where: short stacking energy: -41.832
Base-Backbone interact. energy: -1.001
local terms energy: -90.243705
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -151.873810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.873810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.873810 (E_RNA)
where:
Base-Base interactions energy: -41.243
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.458
local terms energy: -110.172947
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: 0.687
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -133.043587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.043587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.043587 (E_RNA)
where:
Base-Base interactions energy: -47.547
where: short stacking energy: -45.613
Base-Backbone interact. energy: -1.643
local terms energy: -83.853421
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -473.995290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.995290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.995290 (E_RNA)
where:
Base-Base interactions energy: -317.123
where: short stacking energy: -123.650
Base-Backbone interact. energy: 0.354
local terms energy: -157.226161
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -30.622
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -33.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -354.938091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.938091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.938091 (E_RNA)
where:
Base-Base interactions energy: -230.483
where: short stacking energy: -95.846
Base-Backbone interact. energy: -1.471
local terms energy: -122.984412
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -301.325094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.325094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.325094 (E_RNA)
where:
Base-Base interactions energy: -168.334
where: short stacking energy: -99.445
Base-Backbone interact. energy: -0.500
local terms energy: -132.491595
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -300.276171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.276171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.276171 (E_RNA)
where:
Base-Base interactions energy: -169.924
where: short stacking energy: -94.715
Base-Backbone interact. energy: -0.167
local terms energy: -130.185910
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -25.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -280.176094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.176094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.176094 (E_RNA)
where:
Base-Base interactions energy: -172.071
where: short stacking energy: -71.385
Base-Backbone interact. energy: -2.420
local terms energy: -105.685409
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -217.538900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538900 (E_RNA)
where:
Base-Base interactions energy: -99.362
where: short stacking energy: -82.284
Base-Backbone interact. energy: -0.363
local terms energy: -117.813788
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -20.402
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: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -169.890198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.890198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.890198 (E_RNA)
where:
Base-Base interactions energy: -67.675
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.196
local terms energy: -102.018792
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -159.654688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.654688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.654688 (E_RNA)
where:
Base-Base interactions energy: -63.992
where: short stacking energy: -51.365
Base-Backbone interact. energy: -1.699
local terms energy: -93.963270
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: 2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -173.614695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.614695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.614695 (E_RNA)
where:
Base-Base interactions energy: -63.956
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.200
local terms energy: -109.459016
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -129.748039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.748039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.748039 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -28.249
Base-Backbone interact. energy: -1.727
local terms energy: -91.652661
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: 7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -477.401955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.401955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.401955 (E_RNA)
where:
Base-Base interactions energy: -335.084
where: short stacking energy: -129.640
Base-Backbone interact. energy: 2.087
local terms energy: -144.405104
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -28.518
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -37.508
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -371.589961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.589961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.589961 (E_RNA)
where:
Base-Base interactions energy: -234.818
where: short stacking energy: -90.051
Base-Backbone interact. energy: -2.836
local terms energy: -133.935450
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -18.639
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: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -342.957733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.957733 (E_RNA)
where:
Base-Base interactions energy: -201.716
where: short stacking energy: -111.274
Base-Backbone interact. energy: -0.245
local terms energy: -140.996326
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -295.457119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.457119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.457119 (E_RNA)
where:
Base-Base interactions energy: -168.647
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.580
local terms energy: -126.229887
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -15.078
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -296.549634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.549634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.549634 (E_RNA)
where:
Base-Base interactions energy: -176.337
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.949
local terms energy: -119.263229
where:
bonds (distance) C4'-P energy: -31.307
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -207.711830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.711830 (E_RNA)
where:
Base-Base interactions energy: -110.637
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.502
local terms energy: -96.572920
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -174.115664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.115664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.115664 (E_RNA)
where:
Base-Base interactions energy: -63.997
where: short stacking energy: -50.647
Base-Backbone interact. energy: -0.245
local terms energy: -109.873715
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -175.175698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.175698 (E_RNA)
where:
Base-Base interactions energy: -74.416
where: short stacking energy: -55.326
Base-Backbone interact. energy: 0.687
local terms energy: -101.446283
where:
bonds (distance) C4'-P energy: -28.513
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -166.154835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.154835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.154835 (E_RNA)
where:
Base-Base interactions energy: -63.803
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.229
local terms energy: -102.122609
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -131.674017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.674017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.674017 (E_RNA)
where:
Base-Base interactions energy: -43.780
where: short stacking energy: -43.055
Base-Backbone interact. energy: 0.831
local terms energy: -88.724151
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: 4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -500.441072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.441072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.441072 (E_RNA)
where:
Base-Base interactions energy: -335.005
where: short stacking energy: -139.150
Base-Backbone interact. energy: -0.049
local terms energy: -165.387752
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -40.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -371.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.617920 (E_RNA)
where:
Base-Base interactions energy: -230.017
where: short stacking energy: -108.735
Base-Backbone interact. energy: -1.029
local terms energy: -140.572155
where:
bonds (distance) C4'-P energy: -31.784
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -18.593
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: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -352.891827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.891827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.891827 (E_RNA)
where:
Base-Base interactions energy: -207.474
where: short stacking energy: -114.252
Base-Backbone interact. energy: -0.161
local terms energy: -145.257215
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -35.295
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: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -321.646639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.646639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.646639 (E_RNA)
where:
Base-Base interactions energy: -201.895
where: short stacking energy: -87.906
Base-Backbone interact. energy: 1.040
local terms energy: -120.791939
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -32.602
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -313.326887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.326887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.326887 (E_RNA)
where:
Base-Base interactions energy: -196.453
where: short stacking energy: -87.928
Base-Backbone interact. energy: 0.378
local terms energy: -117.251895
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -195.830096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.830096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.830096 (E_RNA)
where:
Base-Base interactions energy: -88.714
where: short stacking energy: -69.733
Base-Backbone interact. energy: 1.222
local terms energy: -108.338217
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: -12.003
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: 11
Temperature: 1.200000
Total energy: -172.826635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.826635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.826635 (E_RNA)
where:
Base-Base interactions energy: -77.430
where: short stacking energy: -44.488
Base-Backbone interact. energy: 0.092
local terms energy: -95.487986
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -1.427
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: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -168.178031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178031 (E_RNA)
where:
Base-Base interactions energy: -71.015
where: short stacking energy: -49.405
Base-Backbone interact. energy: 0.649
local terms energy: -97.812158
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -143.441896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.441896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.441896 (E_RNA)
where:
Base-Base interactions energy: -56.769
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.875
local terms energy: -85.798249
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.359
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: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -126.682831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.682831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.682831 (E_RNA)
where:
Base-Base interactions energy: -51.696
where: short stacking energy: -47.073
Base-Backbone interact. energy: -0.408
local terms energy: -74.578902
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: 8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -496.243231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.243231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.243231 (E_RNA)
where:
Base-Base interactions energy: -338.383
where: short stacking energy: -135.094
Base-Backbone interact. energy: -0.799
local terms energy: -157.060802
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -39.754
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -343.887848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.887848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.887848 (E_RNA)
where:
Base-Base interactions energy: -205.359
where: short stacking energy: -96.974
Base-Backbone interact. energy: -0.223
local terms energy: -138.305792
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -365.989996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.989996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.989996 (E_RNA)
where:
Base-Base interactions energy: -246.462
where: short stacking energy: -85.477
Base-Backbone interact. energy: 3.602
local terms energy: -123.129955
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -344.611755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.611755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.611755 (E_RNA)
where:
Base-Base interactions energy: -216.363
where: short stacking energy: -108.531
Base-Backbone interact. energy: -0.822
local terms energy: -127.427247
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -30.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -320.222975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.222975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.222975 (E_RNA)
where:
Base-Base interactions energy: -194.488
where: short stacking energy: -92.605
Base-Backbone interact. energy: 3.013
local terms energy: -128.747823
where:
bonds (distance) C4'-P energy: -23.158
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -182.776276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.776276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.776276 (E_RNA)
where:
Base-Base interactions energy: -72.941
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.231
local terms energy: -109.605049
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -184.425202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.425202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.425202 (E_RNA)
where:
Base-Base interactions energy: -79.113
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.355
local terms energy: -104.957886
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -5.022
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -154.208801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.208801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.208801 (E_RNA)
where:
Base-Base interactions energy: -57.802
where: short stacking energy: -49.018
Base-Backbone interact. energy: -1.196
local terms energy: -95.210798
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: 2.916
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: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -164.106894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.106894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.106894 (E_RNA)
where:
Base-Base interactions energy: -64.627
where: short stacking energy: -57.725
Base-Backbone interact. energy: -1.015
local terms energy: -98.465640
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -137.861791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.861791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.861791 (E_RNA)
where:
Base-Base interactions energy: -63.994
where: short stacking energy: -29.072
Base-Backbone interact. energy: -0.585
local terms energy: -73.282328
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: 12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -506.854162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.854162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.854162 (E_RNA)
where:
Base-Base interactions energy: -341.646
where: short stacking energy: -129.674
Base-Backbone interact. energy: 2.438
local terms energy: -167.646130
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -41.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -390.786633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.786633 (E_RNA)
where:
Base-Base interactions energy: -262.049
where: short stacking energy: -104.991
Base-Backbone interact. energy: -1.839
local terms energy: -126.898694
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -31.835
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -334.413407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.413407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.413407 (E_RNA)
where:
Base-Base interactions energy: -203.598
where: short stacking energy: -91.667
Base-Backbone interact. energy: -1.301
local terms energy: -129.513607
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -285.444841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.444841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.444841 (E_RNA)
where:
Base-Base interactions energy: -176.905
where: short stacking energy: -73.112
Base-Backbone interact. energy: -1.850
local terms energy: -106.689600
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -347.476908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.476908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.476908 (E_RNA)
where:
Base-Base interactions energy: -207.437
where: short stacking energy: -107.429
Base-Backbone interact. energy: 0.304
local terms energy: -140.344162
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -28.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -183.973707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973707 (E_RNA)
where:
Base-Base interactions energy: -79.475
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.027
local terms energy: -104.471806
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -179.096754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.096754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.096754 (E_RNA)
where:
Base-Base interactions energy: -72.619
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.737
local terms energy: -105.740906
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -155.766921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.766921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.766921 (E_RNA)
where:
Base-Base interactions energy: -48.725
where: short stacking energy: -47.116
Base-Backbone interact. energy: -1.365
local terms energy: -105.676363
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -147.195128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.195128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.195128 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.474
local terms energy: -99.547650
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -36.495
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -136.751465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.751465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.751465 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -39.407
Base-Backbone interact. energy: 1.046
local terms energy: -96.445742
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -490.738999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.738999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.738999 (E_RNA)
where:
Base-Base interactions energy: -334.942
where: short stacking energy: -130.440
Base-Backbone interact. energy: -0.012
local terms energy: -155.784626
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -38.823
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -397.395569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.395569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.395569 (E_RNA)
where:
Base-Base interactions energy: -279.447
where: short stacking energy: -115.318
Base-Backbone interact. energy: -1.009
local terms energy: -116.939587
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -327.842903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.842903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.842903 (E_RNA)
where:
Base-Base interactions energy: -201.787
where: short stacking energy: -93.519
Base-Backbone interact. energy: -0.082
local terms energy: -125.973738
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -23.109
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: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -306.633527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.633527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.633527 (E_RNA)
where:
Base-Base interactions energy: -183.615
where: short stacking energy: -78.767
Base-Backbone interact. energy: 1.696
local terms energy: -124.714103
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -344.112244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.112244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.112244 (E_RNA)
where:
Base-Base interactions energy: -218.684
where: short stacking energy: -103.831
Base-Backbone interact. energy: -0.909
local terms energy: -124.519531
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -26.972
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -24.919
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: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -187.856134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856134 (E_RNA)
where:
Base-Base interactions energy: -83.610
where: short stacking energy: -49.936
Base-Backbone interact. energy: -1.421
local terms energy: -102.825351
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -10.077
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: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -187.102958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.102958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.102958 (E_RNA)
where:
Base-Base interactions energy: -76.296
where: short stacking energy: -61.625
Base-Backbone interact. energy: 1.515
local terms energy: -112.322137
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -15.745
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -139.746510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.746510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.746510 (E_RNA)
where:
Base-Base interactions energy: -56.736
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.009
local terms energy: -83.001240
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: 3.121
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: 14
Temperature: 1.300000
Total energy: -147.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.205336 (E_RNA)
where:
Base-Base interactions energy: -52.607
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.480
local terms energy: -94.118157
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -139.107714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.107714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.107714 (E_RNA)
where:
Base-Base interactions energy: -49.491
where: short stacking energy: -32.275
Base-Backbone interact. energy: 1.602
local terms energy: -91.218725
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -25.410
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: 4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -495.950537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.950537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.950537 (E_RNA)
where:
Base-Base interactions energy: -338.819
where: short stacking energy: -143.907
Base-Backbone interact. energy: -0.538
local terms energy: -156.593612
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -42.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -413.289244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.289244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.289244 (E_RNA)
where:
Base-Base interactions energy: -287.791
where: short stacking energy: -124.754
Base-Backbone interact. energy: -0.851
local terms energy: -124.647273
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -372.434664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.434664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.434664 (E_RNA)
where:
Base-Base interactions energy: -239.648
where: short stacking energy: -99.612
Base-Backbone interact. energy: 0.761
local terms energy: -133.547451
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -23.327
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: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -349.903219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.903219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.903219 (E_RNA)
where:
Base-Base interactions energy: -220.591
where: short stacking energy: -103.585
Base-Backbone interact. energy: -0.596
local terms energy: -128.716500
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -25.838
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -275.975545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.975545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.975545 (E_RNA)
where:
Base-Base interactions energy: -148.351
where: short stacking energy: -68.340
Base-Backbone interact. energy: 0.056
local terms energy: -127.680778
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -30.211
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -176.094449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.094449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.094449 (E_RNA)
where:
Base-Base interactions energy: -73.239
where: short stacking energy: -69.252
Base-Backbone interact. energy: -0.308
local terms energy: -102.548042
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -176.720679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.720679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.720679 (E_RNA)
where:
Base-Base interactions energy: -81.148
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.007
local terms energy: -95.565613
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -143.158269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.158269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.158269 (E_RNA)
where:
Base-Base interactions energy: -57.700
where: short stacking energy: -44.767
Base-Backbone interact. energy: -4.733
local terms energy: -80.725145
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: 5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -158.545796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.545796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.545796 (E_RNA)
where:
Base-Base interactions energy: -53.351
where: short stacking energy: -42.144
Base-Backbone interact. energy: 0.071
local terms energy: -105.265518
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -15.393
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -144.334942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.334942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.334942 (E_RNA)
where:
Base-Base interactions energy: -55.579
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.093
local terms energy: -88.662991
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -507.138375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.138375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.138375 (E_RNA)
where:
Base-Base interactions energy: -348.460
where: short stacking energy: -143.496
Base-Backbone interact. energy: -0.333
local terms energy: -158.345458
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -44.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -419.932921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.932921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.932921 (E_RNA)
where:
Base-Base interactions energy: -276.561
where: short stacking energy: -120.304
Base-Backbone interact. energy: -0.889
local terms energy: -142.482859
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -379.776680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.776680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.776680 (E_RNA)
where:
Base-Base interactions energy: -228.015
where: short stacking energy: -114.835
Base-Backbone interact. energy: -0.269
local terms energy: -151.492234
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -32.397
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: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -365.632302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.632302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.632302 (E_RNA)
where:
Base-Base interactions energy: -236.676
where: short stacking energy: -116.334
Base-Backbone interact. energy: -0.301
local terms energy: -128.655132
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -32.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -292.900901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.900901 (E_RNA)
where:
Base-Base interactions energy: -176.112
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.556
local terms energy: -116.232771
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -182.063031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.063031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.063031 (E_RNA)
where:
Base-Base interactions energy: -80.781
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.857
local terms energy: -100.425133
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -30.499
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -167.637888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.637888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637888 (E_RNA)
where:
Base-Base interactions energy: -77.410
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.559
local terms energy: -89.669709
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: 9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -194.143852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.143852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.143852 (E_RNA)
where:
Base-Base interactions energy: -80.068
where: short stacking energy: -58.703
Base-Backbone interact. energy: -1.973
local terms energy: -112.102960
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -139.261118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.261118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.261118 (E_RNA)
where:
Base-Base interactions energy: -54.337
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.133
local terms energy: -84.791381
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -128.009236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.009236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.009236 (E_RNA)
where:
Base-Base interactions energy: -52.392
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.475
local terms energy: -75.142131
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 6.320
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: 17
Temperature: 0.900000
Total energy: -498.203589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.203589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.203589 (E_RNA)
where:
Base-Base interactions energy: -354.568
where: short stacking energy: -141.780
Base-Backbone interact. energy: -0.838
local terms energy: -142.797394
where:
bonds (distance) C4'-P energy: -29.766
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -395.603624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.603624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.603624 (E_RNA)
where:
Base-Base interactions energy: -264.605
where: short stacking energy: -91.682
Base-Backbone interact. energy: -3.335
local terms energy: -127.663998
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -393.913223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.913223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.913223 (E_RNA)
where:
Base-Base interactions energy: -253.550
where: short stacking energy: -113.257
Base-Backbone interact. energy: -1.000
local terms energy: -139.363083
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -326.375082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.375082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.375082 (E_RNA)
where:
Base-Base interactions energy: -191.587
where: short stacking energy: -106.518
Base-Backbone interact. energy: -1.216
local terms energy: -133.571409
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -325.325741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.325741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.325741 (E_RNA)
where:
Base-Base interactions energy: -192.973
where: short stacking energy: -100.671
Base-Backbone interact. energy: -0.503
local terms energy: -131.850051
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -18.921
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -281.636392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.636392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.636392 (E_RNA)
where:
Base-Base interactions energy: -162.306
where: short stacking energy: -77.516
Base-Backbone interact. energy: -1.125
local terms energy: -118.205732
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -172.919200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.919200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.919200 (E_RNA)
where:
Base-Base interactions energy: -72.368
where: short stacking energy: -62.830
Base-Backbone interact. energy: 1.684
local terms energy: -102.235568
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -152.725117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.725117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.725117 (E_RNA)
where:
Base-Base interactions energy: -62.847
where: short stacking energy: -56.425
Base-Backbone interact. energy: 1.620
local terms energy: -91.497997
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -202.181229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.181229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181229 (E_RNA)
where:
Base-Base interactions energy: -106.223
where: short stacking energy: -44.433
Base-Backbone interact. energy: -1.316
local terms energy: -94.642080
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -134.292808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.292808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.292808 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -26.806
Base-Backbone interact. energy: 0.851
local terms energy: -82.359249
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -5.823
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: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -497.510258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.510258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.510258 (E_RNA)
where:
Base-Base interactions energy: -344.061
where: short stacking energy: -140.690
Base-Backbone interact. energy: -2.029
local terms energy: -151.421207
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -39.853
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -409.357451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.357451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.357451 (E_RNA)
where:
Base-Base interactions energy: -285.844
where: short stacking energy: -102.907
Base-Backbone interact. energy: -0.127
local terms energy: -123.387212
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -416.184809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.184809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.184809 (E_RNA)
where:
Base-Base interactions energy: -270.760
where: short stacking energy: -135.092
Base-Backbone interact. energy: -0.080
local terms energy: -145.344829
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -37.955
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -340.793702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.793702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.793702 (E_RNA)
where:
Base-Base interactions energy: -210.072
where: short stacking energy: -121.092
Base-Backbone interact. energy: -0.380
local terms energy: -130.341436
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -11.659
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: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -307.088151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.088151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.088151 (E_RNA)
where:
Base-Base interactions energy: -171.764
where: short stacking energy: -95.253
Base-Backbone interact. energy: -0.263
local terms energy: -135.061107
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -33.012
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -260.593313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.593313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.593313 (E_RNA)
where:
Base-Base interactions energy: -145.745
where: short stacking energy: -75.594
Base-Backbone interact. energy: 0.748
local terms energy: -115.595926
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -162.494601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.494601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.494601 (E_RNA)
where:
Base-Base interactions energy: -55.969
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.471
local terms energy: -106.054523
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -189.404383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.404383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.404383 (E_RNA)
where:
Base-Base interactions energy: -78.772
where: short stacking energy: -55.119
Base-Backbone interact. energy: 0.182
local terms energy: -110.814600
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -170.385264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.385264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.385264 (E_RNA)
where:
Base-Base interactions energy: -67.763
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.341
local terms energy: -102.281506
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -141.213286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.213286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.213286 (E_RNA)
where:
Base-Base interactions energy: -62.747
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.500
local terms energy: -77.966277
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: 4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -491.270362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.270362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.270362 (E_RNA)
where:
Base-Base interactions energy: -336.967
where: short stacking energy: -147.089
Base-Backbone interact. energy: -0.496
local terms energy: -153.807890
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -38.980
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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -423.898843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.898843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.898843 (E_RNA)
where:
Base-Base interactions energy: -276.654
where: short stacking energy: -122.737
Base-Backbone interact. energy: -0.153
local terms energy: -147.092300
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -19.456
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: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -413.006920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.006920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.006920 (E_RNA)
where:
Base-Base interactions energy: -295.588
where: short stacking energy: -123.153
Base-Backbone interact. energy: -0.446
local terms energy: -116.972280
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -26.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -337.515274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.515274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.515274 (E_RNA)
where:
Base-Base interactions energy: -205.583
where: short stacking energy: -113.037
Base-Backbone interact. energy: 0.408
local terms energy: -132.339924
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -26.603
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: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -302.771988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.771988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.771988 (E_RNA)
where:
Base-Base interactions energy: -173.227
where: short stacking energy: -86.962
Base-Backbone interact. energy: -1.293
local terms energy: -128.252430
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -26.759
flat angles P-C4'-P energy: -19.081
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: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -293.876865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.876865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.876865 (E_RNA)
where:
Base-Base interactions energy: -161.106
where: short stacking energy: -86.586
Base-Backbone interact. energy: -0.301
local terms energy: -132.469291
where:
bonds (distance) C4'-P energy: -31.772
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -197.469568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.469568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.469568 (E_RNA)
where:
Base-Base interactions energy: -89.425
where: short stacking energy: -67.495
Base-Backbone interact. energy: 0.182
local terms energy: -108.227409
where:
bonds (distance) C4'-P energy: -30.965
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -17.820
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: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -166.668825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.668825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.668825 (E_RNA)
where:
Base-Base interactions energy: -71.538
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.950
local terms energy: -94.180714
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -151.303896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.303896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.303896 (E_RNA)
where:
Base-Base interactions energy: -66.803
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.629
local terms energy: -83.871793
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -167.045577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.045577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.045577 (E_RNA)
where:
Base-Base interactions energy: -65.084
where: short stacking energy: -49.255
Base-Backbone interact. energy: -0.438
local terms energy: -101.523472
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -494.914278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.914278 (E_RNA)
where:
Base-Base interactions energy: -345.327
where: short stacking energy: -143.700
Base-Backbone interact. energy: 0.042
local terms energy: -149.629633
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -37.861
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: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -429.598285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.598285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.598285 (E_RNA)
where:
Base-Base interactions energy: -280.721
where: short stacking energy: -135.034
Base-Backbone interact. energy: -0.268
local terms energy: -148.608862
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -41.734
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: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -371.600503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.600503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.600503 (E_RNA)
where:
Base-Base interactions energy: -237.724
where: short stacking energy: -135.428
Base-Backbone interact. energy: -0.182
local terms energy: -133.694552
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -37.204
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -368.142747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.142747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.142747 (E_RNA)
where:
Base-Base interactions energy: -243.953
where: short stacking energy: -102.148
Base-Backbone interact. energy: -2.422
local terms energy: -121.767794
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -311.906321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.906321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.906321 (E_RNA)
where:
Base-Base interactions energy: -183.061
where: short stacking energy: -88.791
Base-Backbone interact. energy: -0.999
local terms energy: -127.846635
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -259.529415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.529415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.529415 (E_RNA)
where:
Base-Base interactions energy: -157.548
where: short stacking energy: -85.306
Base-Backbone interact. energy: -0.617
local terms energy: -101.364465
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -172.992280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.992280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.992280 (E_RNA)
where:
Base-Base interactions energy: -66.474
where: short stacking energy: -52.338
Base-Backbone interact. energy: -2.526
local terms energy: -103.991673
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -29.886
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -6.954
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: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -161.137703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.137703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.137703 (E_RNA)
where:
Base-Base interactions energy: -62.384
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.186
local terms energy: -98.567112
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -158.849945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.849945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.849945 (E_RNA)
where:
Base-Base interactions energy: -61.864
where: short stacking energy: -53.298
Base-Backbone interact. energy: 1.535
local terms energy: -98.521364
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -153.113119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.113119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.113119 (E_RNA)
where:
Base-Base interactions energy: -65.854
where: short stacking energy: -46.386
Base-Backbone interact. energy: 0.181
local terms energy: -87.439209
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: 7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -490.011128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.011128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.011128 (E_RNA)
where:
Base-Base interactions energy: -331.872
where: short stacking energy: -134.864
Base-Backbone interact. energy: -1.391
local terms energy: -156.748089
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -30.622
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -430.769272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.769272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.769272 (E_RNA)
where:
Base-Base interactions energy: -275.022
where: short stacking energy: -129.346
Base-Backbone interact. energy: -0.505
local terms energy: -155.242049
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -35.235
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: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -369.825250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.825250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.825250 (E_RNA)
where:
Base-Base interactions energy: -221.097
where: short stacking energy: -132.157
Base-Backbone interact. energy: 0.731
local terms energy: -149.458736
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -34.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -343.185960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.185960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.185960 (E_RNA)
where:
Base-Base interactions energy: -207.154
where: short stacking energy: -105.780
Base-Backbone interact. energy: 0.378
local terms energy: -136.410238
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -21.044
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: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -356.331677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.331677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.331677 (E_RNA)
where:
Base-Base interactions energy: -239.059
where: short stacking energy: -89.006
Base-Backbone interact. energy: -1.620
local terms energy: -115.652730
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -12.202
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: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -277.287949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.287949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.287949 (E_RNA)
where:
Base-Base interactions energy: -164.962
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.263
local terms energy: -112.063143
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -164.777178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.777178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.777178 (E_RNA)
where:
Base-Base interactions energy: -64.757
where: short stacking energy: -56.350
Base-Backbone interact. energy: -0.195
local terms energy: -99.825612
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -14.800
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: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -159.589732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.589732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589732 (E_RNA)
where:
Base-Base interactions energy: -65.552
where: short stacking energy: -47.287
Base-Backbone interact. energy: -1.073
local terms energy: -92.964706
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -20.582
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: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -141.196322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.196322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.196322 (E_RNA)
where:
Base-Base interactions energy: -57.863
where: short stacking energy: -49.563
Base-Backbone interact. energy: -1.495
local terms energy: -81.838584
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: 1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -166.459780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.459780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.459780 (E_RNA)
where:
Base-Base interactions energy: -76.632
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.543
local terms energy: -89.283962
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: 5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -505.087086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.087086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.087086 (E_RNA)
where:
Base-Base interactions energy: -349.315
where: short stacking energy: -137.444
Base-Backbone interact. energy: -0.345
local terms energy: -155.426586
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -41.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -450.298962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.298962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.298962 (E_RNA)
where:
Base-Base interactions energy: -297.369
where: short stacking energy: -133.331
Base-Backbone interact. energy: -0.163
local terms energy: -152.766948
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -28.700
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -41.198
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -363.343224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.343224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.343224 (E_RNA)
where:
Base-Base interactions energy: -214.847
where: short stacking energy: -117.454
Base-Backbone interact. energy: 0.406
local terms energy: -148.902477
where:
bonds (distance) C4'-P energy: -30.126
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -21.706
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -374.521740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.521740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.521740 (E_RNA)
where:
Base-Base interactions energy: -244.546
where: short stacking energy: -111.725
Base-Backbone interact. energy: -0.031
local terms energy: -129.944170
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -26.619
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: 22
Temperature: 1.100000
Total energy: -311.742672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.742672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.742672 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -100.217
Base-Backbone interact. energy: 0.441
local terms energy: -128.301876
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -293.759670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.759670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.759670 (E_RNA)
where:
Base-Base interactions energy: -181.864
where: short stacking energy: -80.253
Base-Backbone interact. energy: 1.327
local terms energy: -113.223157
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -158.248695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.248695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.248695 (E_RNA)
where:
Base-Base interactions energy: -59.485
where: short stacking energy: -36.221
Base-Backbone interact. energy: -0.815
local terms energy: -97.948578
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -165.167641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.167641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.167641 (E_RNA)
where:
Base-Base interactions energy: -70.835
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.705
local terms energy: -93.628138
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -27.624
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -148.575568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.575568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.575568 (E_RNA)
where:
Base-Base interactions energy: -59.752
where: short stacking energy: -58.475
Base-Backbone interact. energy: -1.042
local terms energy: -87.781693
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -127.970904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.970904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.970904 (E_RNA)
where:
Base-Base interactions energy: -37.369
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.226
local terms energy: -90.375809
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -498.753297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.753297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.753297 (E_RNA)
where:
Base-Base interactions energy: -339.801
where: short stacking energy: -134.838
Base-Backbone interact. energy: -1.204
local terms energy: -157.748470
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -34.748
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -33.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -458.637343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.637343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.637343 (E_RNA)
where:
Base-Base interactions energy: -296.014
where: short stacking energy: -130.138
Base-Backbone interact. energy: -1.086
local terms energy: -161.536928
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -340.763242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.763242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.763242 (E_RNA)
where:
Base-Base interactions energy: -206.886
where: short stacking energy: -119.925
Base-Backbone interact. energy: -0.107
local terms energy: -133.770033
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -33.213
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -389.220685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.220685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.220685 (E_RNA)
where:
Base-Base interactions energy: -247.988
where: short stacking energy: -111.928
Base-Backbone interact. energy: 0.226
local terms energy: -141.459599
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -20.061
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: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -348.483537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.483537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.483537 (E_RNA)
where:
Base-Base interactions energy: -219.746
where: short stacking energy: -112.318
Base-Backbone interact. energy: -0.401
local terms energy: -128.336356
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -26.733
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: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -296.750196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.750196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.750196 (E_RNA)
where:
Base-Base interactions energy: -188.567
where: short stacking energy: -76.309
Base-Backbone interact. energy: -1.522
local terms energy: -106.661888
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -7.183
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -172.479921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.479921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.479921 (E_RNA)
where:
Base-Base interactions energy: -59.593
where: short stacking energy: -46.885
Base-Backbone interact. energy: -1.560
local terms energy: -111.327244
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -163.644003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.644003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.644003 (E_RNA)
where:
Base-Base interactions energy: -79.527
where: short stacking energy: -53.981
Base-Backbone interact. energy: 0.232
local terms energy: -84.348790
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -14.821
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: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -144.559897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.559897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.559897 (E_RNA)
where:
Base-Base interactions energy: -52.991
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.820
local terms energy: -90.748904
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -133.481550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.481550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.481550 (E_RNA)
where:
Base-Base interactions energy: -54.353
where: short stacking energy: -36.914
Base-Backbone interact. energy: -1.639
local terms energy: -77.490241
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -499.560089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.560089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.560089 (E_RNA)
where:
Base-Base interactions energy: -342.177
where: short stacking energy: -139.247
Base-Backbone interact. energy: -0.873
local terms energy: -156.509594
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -38.764
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: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -445.524173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.524173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.524173 (E_RNA)
where:
Base-Base interactions energy: -289.085
where: short stacking energy: -131.592
Base-Backbone interact. energy: -0.234
local terms energy: -156.205271
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -38.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -398.523910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.523910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.523910 (E_RNA)
where:
Base-Base interactions energy: -252.943
where: short stacking energy: -119.855
Base-Backbone interact. energy: -0.523
local terms energy: -145.057867
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -38.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -364.416360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.416360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.416360 (E_RNA)
where:
Base-Base interactions energy: -219.600
where: short stacking energy: -118.051
Base-Backbone interact. energy: -0.042
local terms energy: -144.775018
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -37.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -347.534194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.534194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.534194 (E_RNA)
where:
Base-Base interactions energy: -209.340
where: short stacking energy: -101.520
Base-Backbone interact. energy: -1.906
local terms energy: -136.288200
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -29.650
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -309.689960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.689960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.689960 (E_RNA)
where:
Base-Base interactions energy: -192.673
where: short stacking energy: -76.750
Base-Backbone interact. energy: -1.340
local terms energy: -115.677671
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -173.752606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.752606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752606 (E_RNA)
where:
Base-Base interactions energy: -58.781
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.443
local terms energy: -114.529234
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -149.646531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.646531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.646531 (E_RNA)
where:
Base-Base interactions energy: -55.492
where: short stacking energy: -49.777
Base-Backbone interact. energy: -0.322
local terms energy: -93.832389
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -143.900901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.900901 (E_RNA)
where:
Base-Base interactions energy: -57.428
where: short stacking energy: -41.872
Base-Backbone interact. energy: 1.153
local terms energy: -87.625854
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: 10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -159.774659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.774659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.774659 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -46.334
Base-Backbone interact. energy: 0.479
local terms energy: -109.513500
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -486.808155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.808155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.808155 (E_RNA)
where:
Base-Base interactions energy: -338.454
where: short stacking energy: -129.943
Base-Backbone interact. energy: -0.774
local terms energy: -147.579310
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -40.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -465.541775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.541775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.541775 (E_RNA)
where:
Base-Base interactions energy: -305.924
where: short stacking energy: -143.228
Base-Backbone interact. energy: -0.029
local terms energy: -159.588595
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -41.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -416.365993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.365993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.365993 (E_RNA)
where:
Base-Base interactions energy: -274.996
where: short stacking energy: -117.402
Base-Backbone interact. energy: -1.133
local terms energy: -140.237419
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -26.549
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: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -350.706814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.706814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.706814 (E_RNA)
where:
Base-Base interactions energy: -214.917
where: short stacking energy: -105.603
Base-Backbone interact. energy: -1.144
local terms energy: -134.646737
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -30.206
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -324.172261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.172261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.172261 (E_RNA)
where:
Base-Base interactions energy: -189.369
where: short stacking energy: -108.210
Base-Backbone interact. energy: -1.480
local terms energy: -133.322666
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -26.971
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: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -308.779216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.779216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.779216 (E_RNA)
where:
Base-Base interactions energy: -192.507
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.865
local terms energy: -115.407815
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -194.599462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.599462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.599462 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.863
local terms energy: -108.058191
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -173.497801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.497801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.497801 (E_RNA)
where:
Base-Base interactions energy: -75.640
where: short stacking energy: -36.937
Base-Backbone interact. energy: -1.238
local terms energy: -96.620041
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -167.001497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.001497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.001497 (E_RNA)
where:
Base-Base interactions energy: -66.160
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.232
local terms energy: -100.609315
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -27.475
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -13.174
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: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -141.589495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.589495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.589495 (E_RNA)
where:
Base-Base interactions energy: -48.458
where: short stacking energy: -41.700
Base-Backbone interact. energy: -0.289
local terms energy: -92.841710
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -494.301196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.301196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.301196 (E_RNA)
where:
Base-Base interactions energy: -332.108
where: short stacking energy: -137.916
Base-Backbone interact. energy: -0.561
local terms energy: -161.631663
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -38.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -458.124955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.124955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.124955 (E_RNA)
where:
Base-Base interactions energy: -307.619
where: short stacking energy: -138.998
Base-Backbone interact. energy: 1.736
local terms energy: -152.241461
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -40.092
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: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -387.387635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.387635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.387635 (E_RNA)
where:
Base-Base interactions energy: -233.249
where: short stacking energy: -121.032
Base-Backbone interact. energy: -0.520
local terms energy: -153.618199
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -33.922
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -29.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -442.884210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.884210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.884210 (E_RNA)
where:
Base-Base interactions energy: -308.677
where: short stacking energy: -128.556
Base-Backbone interact. energy: -0.328
local terms energy: -133.878933
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -18.248
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: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -340.651747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.651747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.651747 (E_RNA)
where:
Base-Base interactions energy: -205.272
where: short stacking energy: -104.772
Base-Backbone interact. energy: 1.894
local terms energy: -137.273362
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -28.079
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -323.199576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.199576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.199576 (E_RNA)
where:
Base-Base interactions energy: -202.131
where: short stacking energy: -93.415
Base-Backbone interact. energy: -0.580
local terms energy: -120.487772
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -180.625024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.625024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.625024 (E_RNA)
where:
Base-Base interactions energy: -85.783
where: short stacking energy: -49.915
Base-Backbone interact. energy: 0.251
local terms energy: -95.093110
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -16.151
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: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -161.620390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.620390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.620390 (E_RNA)
where:
Base-Base interactions energy: -66.240
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.282
local terms energy: -95.098484
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -162.581749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.581749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.581749 (E_RNA)
where:
Base-Base interactions energy: -74.258
where: short stacking energy: -61.556
Base-Backbone interact. energy: 0.698
local terms energy: -89.021433
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -143.179765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.179765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.179765 (E_RNA)
where:
Base-Base interactions energy: -50.735
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.393
local terms energy: -92.052360
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -499.842013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.842013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.842013 (E_RNA)
where:
Base-Base interactions energy: -344.187
where: short stacking energy: -139.025
Base-Backbone interact. energy: 0.165
local terms energy: -155.820679
where:
bonds (distance) C4'-P energy: -30.633
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -37.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -473.442765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.442765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.442765 (E_RNA)
where:
Base-Base interactions energy: -305.242
where: short stacking energy: -127.373
Base-Backbone interact. energy: -0.788
local terms energy: -167.412492
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -41.711
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: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -367.335156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.335156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.335156 (E_RNA)
where:
Base-Base interactions energy: -224.283
where: short stacking energy: -102.470
Base-Backbone interact. energy: 2.055
local terms energy: -145.107092
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -32.484
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -477.463506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.463506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.463506 (E_RNA)
where:
Base-Base interactions energy: -324.537
where: short stacking energy: -128.575
Base-Backbone interact. energy: -0.416
local terms energy: -152.510239
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -37.624
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: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -382.080033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.080033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.080033 (E_RNA)
where:
Base-Base interactions energy: -238.697
where: short stacking energy: -113.173
Base-Backbone interact. energy: -0.517
local terms energy: -142.866082
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -362.180976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.180976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.180976 (E_RNA)
where:
Base-Base interactions energy: -231.148
where: short stacking energy: -99.434
Base-Backbone interact. energy: -0.098
local terms energy: -130.935041
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -183.729563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.729563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.729563 (E_RNA)
where:
Base-Base interactions energy: -92.917
where: short stacking energy: -44.988
Base-Backbone interact. energy: -0.398
local terms energy: -90.414080
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -32.215
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -164.251203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.251203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.251203 (E_RNA)
where:
Base-Base interactions energy: -76.121
where: short stacking energy: -39.947
Base-Backbone interact. energy: -0.710
local terms energy: -87.420491
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -144.212643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.212643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.212643 (E_RNA)
where:
Base-Base interactions energy: -52.097
where: short stacking energy: -48.997
Base-Backbone interact. energy: -1.097
local terms energy: -91.018183
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -27.524
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -136.162762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.162762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.162762 (E_RNA)
where:
Base-Base interactions energy: -44.486
where: short stacking energy: -32.054
Base-Backbone interact. energy: 1.466
local terms energy: -93.142899
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -17.191
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: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -507.178892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.178892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.178892 (E_RNA)
where:
Base-Base interactions energy: -346.511
where: short stacking energy: -132.151
Base-Backbone interact. energy: 0.297
local terms energy: -160.965286
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -42.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -470.436062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.436062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.436062 (E_RNA)
where:
Base-Base interactions energy: -319.990
where: short stacking energy: -132.141
Base-Backbone interact. energy: -0.848
local terms energy: -149.598442
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -37.297
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -507.237074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.237074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.237074 (E_RNA)
where:
Base-Base interactions energy: -346.278
where: short stacking energy: -141.310
Base-Backbone interact. energy: -0.208
local terms energy: -160.751672
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -41.878
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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -409.697384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.697384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.697384 (E_RNA)
where:
Base-Base interactions energy: -275.059
where: short stacking energy: -117.073
Base-Backbone interact. energy: -0.561
local terms energy: -134.076808
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -379.340975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.340975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.340975 (E_RNA)
where:
Base-Base interactions energy: -234.766
where: short stacking energy: -112.056
Base-Backbone interact. energy: -0.341
local terms energy: -144.233322
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -33.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -348.069687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.069687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.069687 (E_RNA)
where:
Base-Base interactions energy: -226.350
where: short stacking energy: -102.135
Base-Backbone interact. energy: -0.451
local terms energy: -121.268273
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -214.015878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.015878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.015878 (E_RNA)
where:
Base-Base interactions energy: -116.104
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.599
local terms energy: -97.313271
where:
bonds (distance) C4'-P energy: -32.723
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -180.058308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.058308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.058308 (E_RNA)
where:
Base-Base interactions energy: -78.382
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.463
local terms energy: -101.212878
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: 0.552
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: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -151.160111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.160111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.160111 (E_RNA)
where:
Base-Base interactions energy: -55.483
where: short stacking energy: -45.833
Base-Backbone interact. energy: 2.433
local terms energy: -98.110273
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -140.901780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.901780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.901780 (E_RNA)
where:
Base-Base interactions energy: -53.402
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.770
local terms energy: -86.729339
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -25.954
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: 4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -488.818241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.818241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.818241 (E_RNA)
where:
Base-Base interactions energy: -337.430
where: short stacking energy: -130.705
Base-Backbone interact. energy: 1.265
local terms energy: -152.652933
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -515.621432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.621432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.621432 (E_RNA)
where:
Base-Base interactions energy: -359.986
where: short stacking energy: -147.592
Base-Backbone interact. energy: -0.430
local terms energy: -155.206308
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -45.654
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: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -472.395868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.395868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.395868 (E_RNA)
where:
Base-Base interactions energy: -308.592
where: short stacking energy: -129.155
Base-Backbone interact. energy: -1.143
local terms energy: -162.660748
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -36.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -415.652930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.652930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.652930 (E_RNA)
where:
Base-Base interactions energy: -267.794
where: short stacking energy: -115.343
Base-Backbone interact. energy: 1.095
local terms energy: -148.953941
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -400.952188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.952188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.952188 (E_RNA)
where:
Base-Base interactions energy: -252.892
where: short stacking energy: -115.265
Base-Backbone interact. energy: 0.634
local terms energy: -148.693841
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -37.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -333.141929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.141929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.141929 (E_RNA)
where:
Base-Base interactions energy: -215.050
where: short stacking energy: -91.133
Base-Backbone interact. energy: -0.647
local terms energy: -117.445078
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -164.701543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701543 (E_RNA)
where:
Base-Base interactions energy: -64.934
where: short stacking energy: -60.995
Base-Backbone interact. energy: 2.208
local terms energy: -101.975411
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -167.568617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.568617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.568617 (E_RNA)
where:
Base-Base interactions energy: -62.114
where: short stacking energy: -54.559
Base-Backbone interact. energy: 1.133
local terms energy: -106.586988
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -150.206235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.206235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.206235 (E_RNA)
where:
Base-Base interactions energy: -45.373
where: short stacking energy: -45.373
Base-Backbone interact. energy: -0.122
local terms energy: -104.711599
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -141.564542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.564542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.564542 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.514
local terms energy: -95.297781
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -491.533867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.533867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.533867 (E_RNA)
where:
Base-Base interactions energy: -336.059
where: short stacking energy: -143.158
Base-Backbone interact. energy: -1.418
local terms energy: -154.057667
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -44.035
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -524.872127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.872127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.872127 (E_RNA)
where:
Base-Base interactions energy: -362.016
where: short stacking energy: -151.836
Base-Backbone interact. energy: -1.109
local terms energy: -161.747687
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -46.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -455.114584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.114584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.114584 (E_RNA)
where:
Base-Base interactions energy: -298.022
where: short stacking energy: -131.008
Base-Backbone interact. energy: -0.337
local terms energy: -156.756389
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -40.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -415.777164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.777164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.777164 (E_RNA)
where:
Base-Base interactions energy: -258.940
where: short stacking energy: -116.509
Base-Backbone interact. energy: -0.284
local terms energy: -156.554071
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -42.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -326.174928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.174928 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -82.361
Base-Backbone interact. energy: 0.387
local terms energy: -118.756703
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -8.556
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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -314.875705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.875705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.875705 (E_RNA)
where:
Base-Base interactions energy: -183.222
where: short stacking energy: -107.471
Base-Backbone interact. energy: -1.078
local terms energy: -130.575903
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -19.789
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -195.409213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.409213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.409213 (E_RNA)
where:
Base-Base interactions energy: -79.794
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.226
local terms energy: -115.389326
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -175.182336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182336 (E_RNA)
where:
Base-Base interactions energy: -69.409
where: short stacking energy: -54.122
Base-Backbone interact. energy: 0.419
local terms energy: -106.191919
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -160.453521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.453521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.453521 (E_RNA)
where:
Base-Base interactions energy: -75.165
where: short stacking energy: -41.280
Base-Backbone interact. energy: -1.058
local terms energy: -84.230815
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: 9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -138.285762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.285762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.285762 (E_RNA)
where:
Base-Base interactions energy: -49.539
where: short stacking energy: -47.443
Base-Backbone interact. energy: 1.018
local terms energy: -89.764816
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -490.878545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.878545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.878545 (E_RNA)
where:
Base-Base interactions energy: -342.254
where: short stacking energy: -145.992
Base-Backbone interact. energy: -0.554
local terms energy: -148.070354
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -25.298
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -41.426
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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -507.822536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.822536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.822536 (E_RNA)
where:
Base-Base interactions energy: -341.856
where: short stacking energy: -142.877
Base-Backbone interact. energy: -0.616
local terms energy: -165.350553
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -42.390
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: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -465.460859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.460859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.460859 (E_RNA)
where:
Base-Base interactions energy: -311.952
where: short stacking energy: -137.081
Base-Backbone interact. energy: -0.271
local terms energy: -153.237594
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -31.127
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -39.119
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: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -442.798755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.798755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.798755 (E_RNA)
where:
Base-Base interactions energy: -280.582
where: short stacking energy: -125.590
Base-Backbone interact. energy: -0.335
local terms energy: -161.881806
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -42.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -346.992166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.992166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.992166 (E_RNA)
where:
Base-Base interactions energy: -223.242
where: short stacking energy: -90.264
Base-Backbone interact. energy: -0.602
local terms energy: -123.148547
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -308.286002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.286002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.286002 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -100.468
Base-Backbone interact. energy: -0.177
local terms energy: -126.598640
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -157.182695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.182695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.182695 (E_RNA)
where:
Base-Base interactions energy: -56.871
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.546
local terms energy: -99.765664
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -165.070115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.070115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.070115 (E_RNA)
where:
Base-Base interactions energy: -67.022
where: short stacking energy: -47.493
Base-Backbone interact. energy: 1.224
local terms energy: -99.271487
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -146.716235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.716235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.716235 (E_RNA)
where:
Base-Base interactions energy: -60.046
where: short stacking energy: -51.694
Base-Backbone interact. energy: 0.684
local terms energy: -87.354018
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -150.764245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.764245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.764245 (E_RNA)
where:
Base-Base interactions energy: -58.217
where: short stacking energy: -44.626
Base-Backbone interact. energy: -0.233
local terms energy: -92.314054
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -6.571
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: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -513.601278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.601278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.601278 (E_RNA)
where:
Base-Base interactions energy: -353.410
where: short stacking energy: -143.646
Base-Backbone interact. energy: 1.056
local terms energy: -161.247780
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -42.569
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: 32
Temperature: 0.950000
Total energy: -478.285898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.285898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.285898 (E_RNA)
where:
Base-Base interactions energy: -317.319
where: short stacking energy: -134.327
Base-Backbone interact. energy: -0.268
local terms energy: -160.698788
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -42.827
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: 32
Temperature: 1.000000
Total energy: -441.370871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.370871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.370871 (E_RNA)
where:
Base-Base interactions energy: -279.444
where: short stacking energy: -132.654
Base-Backbone interact. energy: -0.087
local terms energy: -161.840579
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -44.131
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: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -424.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.643245 (E_RNA)
where:
Base-Base interactions energy: -275.146
where: short stacking energy: -133.561
Base-Backbone interact. energy: -0.035
local terms energy: -149.462111
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -38.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -359.928953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.928953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.928953 (E_RNA)
where:
Base-Base interactions energy: -228.643
where: short stacking energy: -82.511
Base-Backbone interact. energy: -0.270
local terms energy: -131.015641
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -26.019
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -302.724451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.724451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.724451 (E_RNA)
where:
Base-Base interactions energy: -168.182
where: short stacking energy: -87.880
Base-Backbone interact. energy: -1.217
local terms energy: -133.325275
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -254.061283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.061283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.061283 (E_RNA)
where:
Base-Base interactions energy: -119.598
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.802
local terms energy: -133.661861
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -31.597
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -153.516012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.516012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.516012 (E_RNA)
where:
Base-Base interactions energy: -56.026
where: short stacking energy: -53.404
Base-Backbone interact. energy: -1.472
local terms energy: -96.017966
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -145.318278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.318278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.318278 (E_RNA)
where:
Base-Base interactions energy: -60.942
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.213
local terms energy: -84.164225
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: 8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -145.792241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.792241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.792241 (E_RNA)
where:
Base-Base interactions energy: -64.478
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.217
local terms energy: -81.097556
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -518.433898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.433898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.433898 (E_RNA)
where:
Base-Base interactions energy: -359.856
where: short stacking energy: -153.479
Base-Backbone interact. energy: -0.458
local terms energy: -158.120363
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -46.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -484.018762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.018762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.018762 (E_RNA)
where:
Base-Base interactions energy: -337.057
where: short stacking energy: -149.746
Base-Backbone interact. energy: -0.126
local terms energy: -146.836140
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -40.277
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: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -416.899749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.899749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.899749 (E_RNA)
where:
Base-Base interactions energy: -274.854
where: short stacking energy: -129.731
Base-Backbone interact. energy: -0.271
local terms energy: -141.774121
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -36.965
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: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -418.540027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.540027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.540027 (E_RNA)
where:
Base-Base interactions energy: -266.593
where: short stacking energy: -117.973
Base-Backbone interact. energy: -1.097
local terms energy: -150.850266
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -19.154
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -380.396816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.396816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.396816 (E_RNA)
where:
Base-Base interactions energy: -236.559
where: short stacking energy: -110.439
Base-Backbone interact. energy: -1.246
local terms energy: -142.591507
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -32.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -288.264503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.264503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.264503 (E_RNA)
where:
Base-Base interactions energy: -169.323
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.595
local terms energy: -118.346400
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -18.064
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: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -225.540844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.540844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.540844 (E_RNA)
where:
Base-Base interactions energy: -120.236
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.404
local terms energy: -104.900549
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -4.547
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: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -196.767630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767630 (E_RNA)
where:
Base-Base interactions energy: -97.831
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.736
local terms energy: -98.201156
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -191.697768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697768 (E_RNA)
where:
Base-Base interactions energy: -93.379
where: short stacking energy: -55.412
Base-Backbone interact. energy: -2.195
local terms energy: -96.123125
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -135.370930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.370930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.370930 (E_RNA)
where:
Base-Base interactions energy: -43.051
where: short stacking energy: -23.876
Base-Backbone interact. energy: -0.599
local terms energy: -91.721263
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: 3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -526.112281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.112281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.112281 (E_RNA)
where:
Base-Base interactions energy: -361.316
where: short stacking energy: -151.034
Base-Backbone interact. energy: -0.644
local terms energy: -164.153105
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -478.182459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.182459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.182459 (E_RNA)
where:
Base-Base interactions energy: -331.029
where: short stacking energy: -143.154
Base-Backbone interact. energy: -0.331
local terms energy: -146.822494
where:
bonds (distance) C4'-P energy: -29.515
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -23.875
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -443.034158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.034158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.034158 (E_RNA)
where:
Base-Base interactions energy: -278.772
where: short stacking energy: -144.600
Base-Backbone interact. energy: -0.738
local terms energy: -163.523813
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -49.427
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: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -434.258004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.258004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.258004 (E_RNA)
where:
Base-Base interactions energy: -288.393
where: short stacking energy: -129.934
Base-Backbone interact. energy: -0.180
local terms energy: -145.684559
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -23.153
tors. eta vs tors. theta energy: -38.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -370.639033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.639033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.639033 (E_RNA)
where:
Base-Base interactions energy: -243.018
where: short stacking energy: -79.195
Base-Backbone interact. energy: -1.185
local terms energy: -126.436174
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -302.263439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.263439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.263439 (E_RNA)
where:
Base-Base interactions energy: -181.706
where: short stacking energy: -88.882
Base-Backbone interact. energy: 0.273
local terms energy: -120.830787
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -237.261728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.261728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.261728 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.749
local terms energy: -97.161033
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -14.108
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -208.547773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.547773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.547773 (E_RNA)
where:
Base-Base interactions energy: -102.868
where: short stacking energy: -66.763
Base-Backbone interact. energy: 0.621
local terms energy: -106.301142
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -201.707874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.707874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.707874 (E_RNA)
where:
Base-Base interactions energy: -91.006
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.605
local terms energy: -110.096522
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -145.694166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.694166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.694166 (E_RNA)
where:
Base-Base interactions energy: -56.942
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.797
local terms energy: -87.955791
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -32.286
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -12.930
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: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -522.174235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.174235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.174235 (E_RNA)
where:
Base-Base interactions energy: -363.222
where: short stacking energy: -157.691
Base-Backbone interact. energy: 1.533
local terms energy: -160.484800
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: -44.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -444.028813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.028813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.028813 (E_RNA)
where:
Base-Base interactions energy: -289.098
where: short stacking energy: -144.003
Base-Backbone interact. energy: -0.275
local terms energy: -154.655810
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -41.123
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: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -473.095529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.095529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.095529 (E_RNA)
where:
Base-Base interactions energy: -321.318
where: short stacking energy: -140.544
Base-Backbone interact. energy: 0.286
local terms energy: -152.063659
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -39.323
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: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -445.809326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.809326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.809326 (E_RNA)
where:
Base-Base interactions energy: -304.181
where: short stacking energy: -122.506
Base-Backbone interact. energy: -0.925
local terms energy: -140.702755
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -386.258229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.258229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.258229 (E_RNA)
where:
Base-Base interactions energy: -258.737
where: short stacking energy: -107.370
Base-Backbone interact. energy: -0.878
local terms energy: -126.643389
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -309.523307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.523307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.523307 (E_RNA)
where:
Base-Base interactions energy: -189.231
where: short stacking energy: -92.083
Base-Backbone interact. energy: 4.246
local terms energy: -124.538235
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -239.862257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.862257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.862257 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.845
local terms energy: -118.334008
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -30.003
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -236.490827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.490827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.490827 (E_RNA)
where:
Base-Base interactions energy: -135.773
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.112
local terms energy: -100.605740
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -185.184920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.184920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.184920 (E_RNA)
where:
Base-Base interactions energy: -92.992
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.414
local terms energy: -91.779168
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -3.537
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -165.280380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.280380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.280380 (E_RNA)
where:
Base-Base interactions energy: -55.144
where: short stacking energy: -50.144
Base-Backbone interact. energy: -0.258
local terms energy: -109.878174
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -26.605
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -525.125784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.125784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.125784 (E_RNA)
where:
Base-Base interactions energy: -357.758
where: short stacking energy: -151.298
Base-Backbone interact. energy: -0.149
local terms energy: -167.218995
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -34.650
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -46.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -449.581867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.581867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.581867 (E_RNA)
where:
Base-Base interactions energy: -300.962
where: short stacking energy: -135.959
Base-Backbone interact. energy: -0.169
local terms energy: -148.450938
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -18.437
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: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -452.143242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.143242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.143242 (E_RNA)
where:
Base-Base interactions energy: -304.819
where: short stacking energy: -129.896
Base-Backbone interact. energy: -0.472
local terms energy: -146.852394
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -41.943
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: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -483.768300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.768300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.768300 (E_RNA)
where:
Base-Base interactions energy: -334.047
where: short stacking energy: -131.216
Base-Backbone interact. energy: -1.535
local terms energy: -148.185410
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -37.524
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -406.404480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.404480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.404480 (E_RNA)
where:
Base-Base interactions energy: -281.086
where: short stacking energy: -111.841
Base-Backbone interact. energy: -0.467
local terms energy: -124.851712
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -18.656
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: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -300.340316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.340316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.340316 (E_RNA)
where:
Base-Base interactions energy: -181.696
where: short stacking energy: -100.229
Base-Backbone interact. energy: 1.309
local terms energy: -119.953251
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -231.047248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.047248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.047248 (E_RNA)
where:
Base-Base interactions energy: -121.856
where: short stacking energy: -63.971
Base-Backbone interact. energy: -2.240
local terms energy: -106.951229
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -20.325
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -209.317480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317480 (E_RNA)
where:
Base-Base interactions energy: -118.341
where: short stacking energy: -62.376
Base-Backbone interact. energy: 2.330
local terms energy: -93.306416
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -13.276
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: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -181.702855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.702855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.702855 (E_RNA)
where:
Base-Base interactions energy: -93.713
where: short stacking energy: -46.717
Base-Backbone interact. energy: 0.424
local terms energy: -88.413605
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -149.256685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.256685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.256685 (E_RNA)
where:
Base-Base interactions energy: -49.611
where: short stacking energy: -44.348
Base-Backbone interact. energy: -0.449
local terms energy: -99.196795
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: 5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -527.578808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.578808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.578808 (E_RNA)
where:
Base-Base interactions energy: -355.799
where: short stacking energy: -149.491
Base-Backbone interact. energy: -0.557
local terms energy: -171.222797
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -36.635
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -476.385931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.385931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.385931 (E_RNA)
where:
Base-Base interactions energy: -316.140
where: short stacking energy: -132.604
Base-Backbone interact. energy: -0.674
local terms energy: -159.572178
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -36.867
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: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -457.878518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.878518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.878518 (E_RNA)
where:
Base-Base interactions energy: -310.689
where: short stacking energy: -130.962
Base-Backbone interact. energy: -0.425
local terms energy: -146.764739
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -37.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -496.657052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.657052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.657052 (E_RNA)
where:
Base-Base interactions energy: -333.695
where: short stacking energy: -143.483
Base-Backbone interact. energy: 0.296
local terms energy: -163.257972
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -46.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -440.627849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.627849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.627849 (E_RNA)
where:
Base-Base interactions energy: -299.637
where: short stacking energy: -121.106
Base-Backbone interact. energy: -0.961
local terms energy: -140.029531
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -32.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -295.156370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.156370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.156370 (E_RNA)
where:
Base-Base interactions energy: -172.923
where: short stacking energy: -77.979
Base-Backbone interact. energy: 1.134
local terms energy: -123.366613
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -24.535
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -233.394679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.394679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.394679 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.577
local terms energy: -99.945513
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -158.793041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.793041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.793041 (E_RNA)
where:
Base-Base interactions energy: -66.125
where: short stacking energy: -50.448
Base-Backbone interact. energy: 1.130
local terms energy: -93.797919
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -166.748840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.748840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.748840 (E_RNA)
where:
Base-Base interactions energy: -80.314
where: short stacking energy: -52.511
Base-Backbone interact. energy: 0.816
local terms energy: -87.251718
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -145.424061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.424061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.424061 (E_RNA)
where:
Base-Base interactions energy: -58.302
where: short stacking energy: -39.178
Base-Backbone interact. energy: -1.344
local terms energy: -85.777687
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -480.153916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.153916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.153916 (E_RNA)
where:
Base-Base interactions energy: -327.421
where: short stacking energy: -129.715
Base-Backbone interact. energy: -0.413
local terms energy: -152.320168
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -516.105403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.105403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.105403 (E_RNA)
where:
Base-Base interactions energy: -348.869
where: short stacking energy: -156.552
Base-Backbone interact. energy: -0.208
local terms energy: -167.028787
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -47.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -509.705993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.705993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.705993 (E_RNA)
where:
Base-Base interactions energy: -343.508
where: short stacking energy: -142.224
Base-Backbone interact. energy: -0.008
local terms energy: -166.189747
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -37.712
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -42.953
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -465.456436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.456436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.456436 (E_RNA)
where:
Base-Base interactions energy: -320.651
where: short stacking energy: -142.048
Base-Backbone interact. energy: -0.208
local terms energy: -144.597282
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -43.846
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -437.977705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.977705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.977705 (E_RNA)
where:
Base-Base interactions energy: -299.403
where: short stacking energy: -122.786
Base-Backbone interact. energy: -0.816
local terms energy: -137.759167
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -37.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -297.443170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.443170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.443170 (E_RNA)
where:
Base-Base interactions energy: -182.675
where: short stacking energy: -96.242
Base-Backbone interact. energy: -0.783
local terms energy: -113.985164
where:
bonds (distance) C4'-P energy: -24.226
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -232.387321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.387321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.387321 (E_RNA)
where:
Base-Base interactions energy: -117.198
where: short stacking energy: -77.206
Base-Backbone interact. energy: -0.221
local terms energy: -114.968871
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -34.188
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -7.228
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: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -149.782957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.782957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.782957 (E_RNA)
where:
Base-Base interactions energy: -54.882
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.212
local terms energy: -94.689095
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -180.543724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.543724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.543724 (E_RNA)
where:
Base-Base interactions energy: -79.886
where: short stacking energy: -35.600
Base-Backbone interact. energy: 0.498
local terms energy: -101.156118
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -157.683989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.683989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.683989 (E_RNA)
where:
Base-Base interactions energy: -54.906
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.335
local terms energy: -102.443015
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -478.894053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.894053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.894053 (E_RNA)
where:
Base-Base interactions energy: -323.852
where: short stacking energy: -143.858
Base-Backbone interact. energy: -0.666
local terms energy: -154.376210
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -41.547
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -517.436038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.436038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.436038 (E_RNA)
where:
Base-Base interactions energy: -355.181
where: short stacking energy: -151.360
Base-Backbone interact. energy: 0.523
local terms energy: -162.778128
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -45.825
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: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -512.471637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.471637 (E_RNA)
where:
Base-Base interactions energy: -350.192
where: short stacking energy: -151.328
Base-Backbone interact. energy: -0.482
local terms energy: -161.798100
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -472.536156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.536156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.536156 (E_RNA)
where:
Base-Base interactions energy: -314.867
where: short stacking energy: -131.737
Base-Backbone interact. energy: -2.666
local terms energy: -155.003615
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -40.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -420.447613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.447613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.447613 (E_RNA)
where:
Base-Base interactions energy: -292.890
where: short stacking energy: -119.075
Base-Backbone interact. energy: -0.973
local terms energy: -126.584911
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -34.642
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: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -245.071120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.071120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.071120 (E_RNA)
where:
Base-Base interactions energy: -140.048
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.674
local terms energy: -104.349361
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -302.151260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.151260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.151260 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -89.275
Base-Backbone interact. energy: 0.653
local terms energy: -118.309945
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -158.010870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.010870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.010870 (E_RNA)
where:
Base-Base interactions energy: -78.251
where: short stacking energy: -48.951
Base-Backbone interact. energy: 0.794
local terms energy: -80.553637
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: 1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -151.056399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.056399 (E_RNA)
where:
Base-Base interactions energy: -48.289
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.634
local terms energy: -102.133683
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -139.465951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.465951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.465951 (E_RNA)
where:
Base-Base interactions energy: -44.049
where: short stacking energy: -42.401
Base-Backbone interact. energy: -0.577
local terms energy: -94.839607
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -518.262007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.262007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.262007 (E_RNA)
where:
Base-Base interactions energy: -357.714
where: short stacking energy: -150.043
Base-Backbone interact. energy: -0.169
local terms energy: -160.379493
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -42.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -470.468573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.468573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.468573 (E_RNA)
where:
Base-Base interactions energy: -309.318
where: short stacking energy: -129.402
Base-Backbone interact. energy: -0.872
local terms energy: -160.278140
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -37.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -521.541904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.541904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.541904 (E_RNA)
where:
Base-Base interactions energy: -357.483
where: short stacking energy: -154.273
Base-Backbone interact. energy: -0.122
local terms energy: -163.936489
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -50.360
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: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -474.593568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.593568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.593568 (E_RNA)
where:
Base-Base interactions energy: -321.302
where: short stacking energy: -143.754
Base-Backbone interact. energy: -0.064
local terms energy: -153.227316
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -41.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -452.851160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.851160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.851160 (E_RNA)
where:
Base-Base interactions energy: -309.144
where: short stacking energy: -129.547
Base-Backbone interact. energy: 1.595
local terms energy: -145.301722
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -37.157
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -265.825306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.825306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.825306 (E_RNA)
where:
Base-Base interactions energy: -142.789
where: short stacking energy: -82.806
Base-Backbone interact. energy: -0.294
local terms energy: -122.742658
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -35.453
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -272.694767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.694767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.694767 (E_RNA)
where:
Base-Base interactions energy: -152.518
where: short stacking energy: -83.319
Base-Backbone interact. energy: -0.755
local terms energy: -119.421842
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -153.228929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.228929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.228929 (E_RNA)
where:
Base-Base interactions energy: -59.163
where: short stacking energy: -44.732
Base-Backbone interact. energy: 1.079
local terms energy: -95.145451
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -156.200168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.200168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.200168 (E_RNA)
where:
Base-Base interactions energy: -57.783
where: short stacking energy: -37.870
Base-Backbone interact. energy: -1.166
local terms energy: -97.251687
where:
bonds (distance) C4'-P energy: -29.028
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -138.215205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.215205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.215205 (E_RNA)
where:
Base-Base interactions energy: -57.175
where: short stacking energy: -50.549
Base-Backbone interact. energy: -0.326
local terms energy: -80.713763
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -8.114
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: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -517.268839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.268839 (E_RNA)
where:
Base-Base interactions energy: -351.150
where: short stacking energy: -149.600
Base-Backbone interact. energy: -0.161
local terms energy: -165.958234
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -47.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -528.691570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.691570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.691570 (E_RNA)
where:
Base-Base interactions energy: -357.711
where: short stacking energy: -152.474
Base-Backbone interact. energy: 0.392
local terms energy: -171.372665
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -32.577
flat angles C4'-P-C4' energy: -32.482
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -47.429
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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -476.023994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.023994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.023994 (E_RNA)
where:
Base-Base interactions energy: -328.104
where: short stacking energy: -141.707
Base-Backbone interact. energy: -0.042
local terms energy: -147.878127
where:
bonds (distance) C4'-P energy: -32.534
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -39.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -473.213450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.213450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.213450 (E_RNA)
where:
Base-Base interactions energy: -324.231
where: short stacking energy: -130.292
Base-Backbone interact. energy: -0.478
local terms energy: -148.503726
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -37.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -462.703922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.703922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.703922 (E_RNA)
where:
Base-Base interactions energy: -313.475
where: short stacking energy: -135.359
Base-Backbone interact. energy: -0.091
local terms energy: -149.138147
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -45.634
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: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -307.449745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.449745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.449745 (E_RNA)
where:
Base-Base interactions energy: -186.966
where: short stacking energy: -101.197
Base-Backbone interact. energy: -1.445
local terms energy: -119.038732
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -25.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -191.990838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.990838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.990838 (E_RNA)
where:
Base-Base interactions energy: -100.936
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.590
local terms energy: -90.464423
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -3.188
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: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -163.656742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.656742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.656742 (E_RNA)
where:
Base-Base interactions energy: -58.735
where: short stacking energy: -46.881
Base-Backbone interact. energy: -0.866
local terms energy: -104.055585
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -154.375076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.375076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.375076 (E_RNA)
where:
Base-Base interactions energy: -57.524
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.235
local terms energy: -96.616200
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -135.324633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.324633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.324633 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -37.749
Base-Backbone interact. energy: 0.023
local terms energy: -90.425260
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -531.796681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.796681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.796681 (E_RNA)
where:
Base-Base interactions energy: -371.024
where: short stacking energy: -155.493
Base-Backbone interact. energy: -0.643
local terms energy: -160.128952
where:
bonds (distance) C4'-P energy: -36.366
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -42.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -519.423781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.423781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.423781 (E_RNA)
where:
Base-Base interactions energy: -353.980
where: short stacking energy: -154.368
Base-Backbone interact. energy: -0.660
local terms energy: -164.783686
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -43.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -490.912643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.912643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.912643 (E_RNA)
where:
Base-Base interactions energy: -339.191
where: short stacking energy: -132.204
Base-Backbone interact. energy: -0.341
local terms energy: -151.380922
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -437.007731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.007731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.007731 (E_RNA)
where:
Base-Base interactions energy: -294.552
where: short stacking energy: -120.503
Base-Backbone interact. energy: 1.053
local terms energy: -143.509020
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -24.647
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: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -437.802012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.802012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.802012 (E_RNA)
where:
Base-Base interactions energy: -294.025
where: short stacking energy: -122.255
Base-Backbone interact. energy: -1.143
local terms energy: -142.633656
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -37.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -282.357944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.357944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.357944 (E_RNA)
where:
Base-Base interactions energy: -161.497
where: short stacking energy: -83.027
Base-Backbone interact. energy: -0.120
local terms energy: -120.740748
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -14.925
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: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -208.622748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.622748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.622748 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.850
local terms energy: -109.722278
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -162.219098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.219098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.219098 (E_RNA)
where:
Base-Base interactions energy: -65.560
where: short stacking energy: -47.874
Base-Backbone interact. energy: -0.604
local terms energy: -96.055892
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -168.437376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.437376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.437376 (E_RNA)
where:
Base-Base interactions energy: -68.726
where: short stacking energy: -42.631
Base-Backbone interact. energy: 0.850
local terms energy: -100.561342
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -15.375
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: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -149.695267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.695267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.695267 (E_RNA)
where:
Base-Base interactions energy: -52.078
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.692
local terms energy: -96.925658
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -535.819232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.819232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.819232 (E_RNA)
where:
Base-Base interactions energy: -375.013
where: short stacking energy: -148.957
Base-Backbone interact. energy: -0.378
local terms energy: -160.428040
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -41.785
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -510.759050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.759050 (E_RNA)
where:
Base-Base interactions energy: -345.115
where: short stacking energy: -147.053
Base-Backbone interact. energy: -2.616
local terms energy: -163.028255
where:
bonds (distance) C4'-P energy: -32.034
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -481.500617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.500617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.500617 (E_RNA)
where:
Base-Base interactions energy: -336.871
where: short stacking energy: -134.126
Base-Backbone interact. energy: -0.558
local terms energy: -144.071184
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -35.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -458.585353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.585353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.585353 (E_RNA)
where:
Base-Base interactions energy: -307.147
where: short stacking energy: -124.803
Base-Backbone interact. energy: -0.242
local terms energy: -151.196570
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -40.152
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: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -455.999950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.999950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.999950 (E_RNA)
where:
Base-Base interactions energy: -306.267
where: short stacking energy: -139.427
Base-Backbone interact. energy: -0.353
local terms energy: -149.379413
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -43.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -304.765010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.765010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.765010 (E_RNA)
where:
Base-Base interactions energy: -177.140
where: short stacking energy: -95.394
Base-Backbone interact. energy: 1.625
local terms energy: -129.249643
where:
bonds (distance) C4'-P energy: -29.828
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -181.906352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.906352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.906352 (E_RNA)
where:
Base-Base interactions energy: -86.172
where: short stacking energy: -34.194
Base-Backbone interact. energy: -1.264
local terms energy: -94.469653
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -15.737
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: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -173.514949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.514949 (E_RNA)
where:
Base-Base interactions energy: -74.009
where: short stacking energy: -43.902
Base-Backbone interact. energy: 0.899
local terms energy: -100.404378
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: 2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -168.143656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.143656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.143656 (E_RNA)
where:
Base-Base interactions energy: -68.112
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.416
local terms energy: -99.615599
where:
bonds (distance) C4'-P energy: -30.212
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -139.080578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.080578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.080578 (E_RNA)
where:
Base-Base interactions energy: -47.613
where: short stacking energy: -38.663
Base-Backbone interact. energy: -2.308
local terms energy: -89.160154
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -2.784
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: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -519.432138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.432138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.432138 (E_RNA)
where:
Base-Base interactions energy: -350.075
where: short stacking energy: -149.511
Base-Backbone interact. energy: -0.933
local terms energy: -168.424391
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -34.649
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -43.998
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: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -515.379908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.379908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.379908 (E_RNA)
where:
Base-Base interactions energy: -344.867
where: short stacking energy: -141.323
Base-Backbone interact. energy: 1.415
local terms energy: -171.927619
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -33.624
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -47.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -474.512565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.512565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.512565 (E_RNA)
where:
Base-Base interactions energy: -327.168
where: short stacking energy: -132.013
Base-Backbone interact. energy: 0.675
local terms energy: -148.019440
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -34.691
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: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -478.405100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.405100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.405100 (E_RNA)
where:
Base-Base interactions energy: -328.872
where: short stacking energy: -129.190
Base-Backbone interact. energy: -0.615
local terms energy: -148.917513
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -37.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -421.231626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.231626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.231626 (E_RNA)
where:
Base-Base interactions energy: -302.964
where: short stacking energy: -114.156
Base-Backbone interact. energy: -0.314
local terms energy: -117.953215
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -36.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -317.680608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.680608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.680608 (E_RNA)
where:
Base-Base interactions energy: -187.213
where: short stacking energy: -110.361
Base-Backbone interact. energy: -0.147
local terms energy: -130.320237
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -28.140
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -27.798
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -201.468377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.468377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.468377 (E_RNA)
where:
Base-Base interactions energy: -117.246
where: short stacking energy: -75.477
Base-Backbone interact. energy: -1.038
local terms energy: -83.184435
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: 0.190
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: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -172.346406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.346406 (E_RNA)
where:
Base-Base interactions energy: -75.101
where: short stacking energy: -75.101
Base-Backbone interact. energy: -0.431
local terms energy: -96.814018
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -158.561886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.561886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.561886 (E_RNA)
where:
Base-Base interactions energy: -51.224
where: short stacking energy: -49.662
Base-Backbone interact. energy: 0.642
local terms energy: -107.980249
where:
bonds (distance) C4'-P energy: -26.809
bonds (distance) P-C4' energy: -27.850
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -190.372269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.372269 (E_RNA)
where:
Base-Base interactions energy: -112.825
where: short stacking energy: -65.981
Base-Backbone interact. energy: 0.146
local terms energy: -77.693115
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -525.656532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.656532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.656532 (E_RNA)
where:
Base-Base interactions energy: -365.145
where: short stacking energy: -142.879
Base-Backbone interact. energy: -0.805
local terms energy: -159.706672
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -48.890
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -521.323215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.323215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.323215 (E_RNA)
where:
Base-Base interactions energy: -351.120
where: short stacking energy: -145.341
Base-Backbone interact. energy: -0.414
local terms energy: -169.789476
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: -47.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -456.859858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.859858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.859858 (E_RNA)
where:
Base-Base interactions energy: -304.986
where: short stacking energy: -130.482
Base-Backbone interact. energy: -1.555
local terms energy: -150.319266
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -34.695
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: 45
Temperature: 1.050000
Total energy: -469.351744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.351744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.351744 (E_RNA)
where:
Base-Base interactions energy: -332.776
where: short stacking energy: -127.538
Base-Backbone interact. energy: -0.897
local terms energy: -135.677809
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -21.477
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -432.506180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.506180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.506180 (E_RNA)
where:
Base-Base interactions energy: -291.078
where: short stacking energy: -117.221
Base-Backbone interact. energy: -0.662
local terms energy: -140.766326
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -36.212
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: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -331.887099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.887099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.887099 (E_RNA)
where:
Base-Base interactions energy: -191.519
where: short stacking energy: -98.600
Base-Backbone interact. energy: 0.118
local terms energy: -140.485845
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -192.482893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.482893 (E_RNA)
where:
Base-Base interactions energy: -79.545
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.723
local terms energy: -112.215294
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -25.084
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: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -162.777939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.777939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.777939 (E_RNA)
where:
Base-Base interactions energy: -62.698
where: short stacking energy: -50.731
Base-Backbone interact. energy: 1.775
local terms energy: -101.854360
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -156.140583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.140583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.140583 (E_RNA)
where:
Base-Base interactions energy: -57.394
where: short stacking energy: -48.896
Base-Backbone interact. energy: 0.435
local terms energy: -99.181324
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -8.636
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: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -130.646615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.646615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.646615 (E_RNA)
where:
Base-Base interactions energy: -46.559
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.132
local terms energy: -83.956075
where:
bonds (distance) C4'-P energy: -25.452
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: 10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -530.886182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.886182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.886182 (E_RNA)
where:
Base-Base interactions energy: -363.572
where: short stacking energy: -151.201
Base-Backbone interact. energy: -0.396
local terms energy: -166.917922
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -508.779062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.779062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.779062 (E_RNA)
where:
Base-Base interactions energy: -353.624
where: short stacking energy: -136.399
Base-Backbone interact. energy: -0.749
local terms energy: -154.406768
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -42.121
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -492.769770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.769770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.769770 (E_RNA)
where:
Base-Base interactions energy: -346.488
where: short stacking energy: -137.036
Base-Backbone interact. energy: -0.753
local terms energy: -145.527957
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -35.072
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: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -464.532850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.532850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.532850 (E_RNA)
where:
Base-Base interactions energy: -307.635
where: short stacking energy: -132.511
Base-Backbone interact. energy: -1.095
local terms energy: -155.802890
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -450.452964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.452964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.452964 (E_RNA)
where:
Base-Base interactions energy: -295.493
where: short stacking energy: -119.818
Base-Backbone interact. energy: 1.064
local terms energy: -156.023933
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -37.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -298.067600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.067600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.067600 (E_RNA)
where:
Base-Base interactions energy: -174.842
where: short stacking energy: -89.954
Base-Backbone interact. energy: 0.945
local terms energy: -124.170946
where:
bonds (distance) C4'-P energy: -28.322
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -206.272127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272127 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -64.776
Base-Backbone interact. energy: 3.057
local terms energy: -103.911326
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -177.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.493607 (E_RNA)
where:
Base-Base interactions energy: -78.804
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.618
local terms energy: -98.071719
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -162.156478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.156478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.156478 (E_RNA)
where:
Base-Base interactions energy: -69.843
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.007
local terms energy: -92.306363
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -143.166140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.166140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.166140 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -44.743
Base-Backbone interact. energy: 0.871
local terms energy: -95.232772
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -7.127
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: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -526.197398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.197398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.197398 (E_RNA)
where:
Base-Base interactions energy: -357.831
where: short stacking energy: -161.949
Base-Backbone interact. energy: -0.056
local terms energy: -168.310638
where:
bonds (distance) C4'-P energy: -31.970
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -46.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -526.229959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.229959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.229959 (E_RNA)
where:
Base-Base interactions energy: -361.320
where: short stacking energy: -138.622
Base-Backbone interact. energy: -0.034
local terms energy: -164.876073
where:
bonds (distance) C4'-P energy: -33.091
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -42.470
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -476.604139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.604139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.604139 (E_RNA)
where:
Base-Base interactions energy: -329.617
where: short stacking energy: -126.333
Base-Backbone interact. energy: 0.562
local terms energy: -147.549197
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -35.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -451.294687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.294687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.294687 (E_RNA)
where:
Base-Base interactions energy: -300.150
where: short stacking energy: -118.809
Base-Backbone interact. energy: -0.284
local terms energy: -150.860549
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -37.623
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: 47
Temperature: 1.100000
Total energy: -437.561929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.561929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.561929 (E_RNA)
where:
Base-Base interactions energy: -287.956
where: short stacking energy: -125.527
Base-Backbone interact. energy: 0.407
local terms energy: -150.012707
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -37.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -291.753609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.753609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.753609 (E_RNA)
where:
Base-Base interactions energy: -172.972
where: short stacking energy: -93.328
Base-Backbone interact. energy: -0.864
local terms energy: -117.917752
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -171.592028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592028 (E_RNA)
where:
Base-Base interactions energy: -84.983
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.489
local terms energy: -86.120204
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -233.892193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.892193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.892193 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -56.763
Base-Backbone interact. energy: -1.049
local terms energy: -98.339078
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -7.229
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: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -170.294474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.294474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.294474 (E_RNA)
where:
Base-Base interactions energy: -67.439
where: short stacking energy: -56.659
Base-Backbone interact. energy: -0.411
local terms energy: -102.444724
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -14.330
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: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -133.827623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.827623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.827623 (E_RNA)
where:
Base-Base interactions energy: -49.167
where: short stacking energy: -42.454
Base-Backbone interact. energy: 0.535
local terms energy: -85.195386
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -523.537213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.537213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.537213 (E_RNA)
where:
Base-Base interactions energy: -351.751
where: short stacking energy: -151.402
Base-Backbone interact. energy: -0.252
local terms energy: -171.533979
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -48.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -521.979368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.979368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.979368 (E_RNA)
where:
Base-Base interactions energy: -357.964
where: short stacking energy: -149.772
Base-Backbone interact. energy: -0.830
local terms energy: -163.185414
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -505.263767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.263767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.263767 (E_RNA)
where:
Base-Base interactions energy: -353.200
where: short stacking energy: -137.407
Base-Backbone interact. energy: -1.522
local terms energy: -150.542408
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -21.073
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: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -464.478434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.478434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.478434 (E_RNA)
where:
Base-Base interactions energy: -308.910
where: short stacking energy: -126.497
Base-Backbone interact. energy: -1.076
local terms energy: -154.492994
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -37.531
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: 48
Temperature: 1.100000
Total energy: -411.941946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.941946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.941946 (E_RNA)
where:
Base-Base interactions energy: -286.429
where: short stacking energy: -118.022
Base-Backbone interact. energy: -0.534
local terms energy: -124.978578
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -31.830
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: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -294.959313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.959313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.959313 (E_RNA)
where:
Base-Base interactions energy: -176.746
where: short stacking energy: -88.633
Base-Backbone interact. energy: -0.225
local terms energy: -117.987777
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -311.865321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.865321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.865321 (E_RNA)
where:
Base-Base interactions energy: -201.422
where: short stacking energy: -87.897
Base-Backbone interact. energy: 0.039
local terms energy: -110.482215
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -162.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.324983 (E_RNA)
where:
Base-Base interactions energy: -67.519
where: short stacking energy: -39.553
Base-Backbone interact. energy: -1.301
local terms energy: -93.504979
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -12.634
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: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -142.024688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.024688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.024688 (E_RNA)
where:
Base-Base interactions energy: -45.754
where: short stacking energy: -31.954
Base-Backbone interact. energy: 1.699
local terms energy: -97.969229
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: 0.789
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: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -124.974771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.974771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.974771 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -20.910
Base-Backbone interact. energy: -0.587
local terms energy: -90.199397
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: 9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -533.553945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.553945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.553945 (E_RNA)
where:
Base-Base interactions energy: -371.682
where: short stacking energy: -162.081
Base-Backbone interact. energy: -0.640
local terms energy: -161.231960
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -27.878
flat angles C4'-P-C4' energy: -38.598
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -45.342
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: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -512.607385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.607385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.607385 (E_RNA)
where:
Base-Base interactions energy: -352.910
where: short stacking energy: -141.936
Base-Backbone interact. energy: -0.849
local terms energy: -158.848052
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -501.844189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.844189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.844189 (E_RNA)
where:
Base-Base interactions energy: -350.455
where: short stacking energy: -142.693
Base-Backbone interact. energy: -0.804
local terms energy: -150.584651
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -42.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -428.434590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.434590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.434590 (E_RNA)
where:
Base-Base interactions energy: -280.320
where: short stacking energy: -110.771
Base-Backbone interact. energy: -0.177
local terms energy: -147.937157
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -30.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -457.662251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.662251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.662251 (E_RNA)
where:
Base-Base interactions energy: -309.835
where: short stacking energy: -134.011
Base-Backbone interact. energy: -0.130
local terms energy: -147.697183
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -43.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -310.301184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.301184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.301184 (E_RNA)
where:
Base-Base interactions energy: -181.304
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.147
local terms energy: -128.850354
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -26.224
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: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -291.019600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.019600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.019600 (E_RNA)
where:
Base-Base interactions energy: -166.922
where: short stacking energy: -77.291
Base-Backbone interact. energy: -0.119
local terms energy: -123.978672
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -15.204
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: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -170.736995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.736995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.736995 (E_RNA)
where:
Base-Base interactions energy: -77.529
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.551
local terms energy: -92.657008
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -15.323
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -156.958942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.958942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.958942 (E_RNA)
where:
Base-Base interactions energy: -77.365
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.263
local terms energy: -79.331044
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -141.075239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.075239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.075239 (E_RNA)
where:
Base-Base interactions energy: -45.832
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.274
local terms energy: -94.968620
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: 1.452
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: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -534.493318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.493318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.493318 (E_RNA)
where:
Base-Base interactions energy: -378.203
where: short stacking energy: -145.444
Base-Backbone interact. energy: -0.299
local terms energy: -155.990964
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -30.893
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -43.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -522.283411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.283411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.283411 (E_RNA)
where:
Base-Base interactions energy: -362.857
where: short stacking energy: -154.419
Base-Backbone interact. energy: -0.257
local terms energy: -159.169605
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -43.745
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -500.828191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.828191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.828191 (E_RNA)
where:
Base-Base interactions energy: -342.323
where: short stacking energy: -138.596
Base-Backbone interact. energy: 1.888
local terms energy: -160.393971
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -40.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -422.695255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.695255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.695255 (E_RNA)
where:
Base-Base interactions energy: -276.336
where: short stacking energy: -108.577
Base-Backbone interact. energy: -0.716
local terms energy: -145.643006
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -21.361
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: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -449.773373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.773373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.773373 (E_RNA)
where:
Base-Base interactions energy: -309.570
where: short stacking energy: -132.300
Base-Backbone interact. energy: 0.792
local terms energy: -140.995229
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -38.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -304.320626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.320626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.320626 (E_RNA)
where:
Base-Base interactions energy: -175.810
where: short stacking energy: -81.770
Base-Backbone interact. energy: 0.525
local terms energy: -129.035613
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -213.935006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.935006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.935006 (E_RNA)
where:
Base-Base interactions energy: -107.589
where: short stacking energy: -59.620
Base-Backbone interact. energy: -0.464
local terms energy: -105.881788
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -211.035712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.035712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.035712 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.561
local terms energy: -98.763674
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -9.032
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: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -147.212472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.212472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.212472 (E_RNA)
where:
Base-Base interactions energy: -57.977
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.086
local terms energy: -89.150351
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -142.853576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.853576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.853576 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -53.731
Base-Backbone interact. energy: 1.132
local terms energy: -89.327504
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -532.443356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.443356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.443356 (E_RNA)
where:
Base-Base interactions energy: -363.634
where: short stacking energy: -149.203
Base-Backbone interact. energy: -0.801
local terms energy: -168.007564
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -34.170
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -523.787098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.787098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.787098 (E_RNA)
where:
Base-Base interactions energy: -348.507
where: short stacking energy: -154.332
Base-Backbone interact. energy: -0.110
local terms energy: -175.169692
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -49.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -494.489240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.489240 (E_RNA)
where:
Base-Base interactions energy: -340.251
where: short stacking energy: -139.401
Base-Backbone interact. energy: -1.545
local terms energy: -152.692840
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -39.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -473.810615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.810615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.810615 (E_RNA)
where:
Base-Base interactions energy: -326.485
where: short stacking energy: -136.021
Base-Backbone interact. energy: -0.292
local terms energy: -147.033706
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -44.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -410.747045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.747045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.747045 (E_RNA)
where:
Base-Base interactions energy: -269.306
where: short stacking energy: -134.807
Base-Backbone interact. energy: -1.065
local terms energy: -140.375970
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -35.248
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: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -340.460688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.460688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.460688 (E_RNA)
where:
Base-Base interactions energy: -209.810
where: short stacking energy: -106.990
Base-Backbone interact. energy: -0.245
local terms energy: -130.405869
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -22.043
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: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -219.215054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.215054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.215054 (E_RNA)
where:
Base-Base interactions energy: -122.284
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.496
local terms energy: -96.435048
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -197.912802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.912802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.912802 (E_RNA)
where:
Base-Base interactions energy: -99.737
where: short stacking energy: -49.754
Base-Backbone interact. energy: -0.520
local terms energy: -97.656076
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -135.676984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.676984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.676984 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.647
local terms energy: -95.760061
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: 3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -143.911318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.911318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.911318 (E_RNA)
where:
Base-Base interactions energy: -44.282
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.221
local terms energy: -99.407607
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: 2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -532.492116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.492116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.492116 (E_RNA)
where:
Base-Base interactions energy: -357.381
where: short stacking energy: -148.992
Base-Backbone interact. energy: -1.265
local terms energy: -173.845606
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -48.525
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: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -516.307488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.307488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.307488 (E_RNA)
where:
Base-Base interactions energy: -354.901
where: short stacking energy: -152.384
Base-Backbone interact. energy: 0.488
local terms energy: -161.894067
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -43.828
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: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -495.899195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.899195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.899195 (E_RNA)
where:
Base-Base interactions energy: -329.130
where: short stacking energy: -139.612
Base-Backbone interact. energy: -0.361
local terms energy: -166.407945
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -42.955
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: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -467.813570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.813570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.813570 (E_RNA)
where:
Base-Base interactions energy: -318.787
where: short stacking energy: -132.995
Base-Backbone interact. energy: -1.154
local terms energy: -147.872690
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -36.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -431.511653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.511653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.511653 (E_RNA)
where:
Base-Base interactions energy: -289.021
where: short stacking energy: -114.755
Base-Backbone interact. energy: -0.100
local terms energy: -142.391135
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -22.806
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -343.142947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.142947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.142947 (E_RNA)
where:
Base-Base interactions energy: -206.819
where: short stacking energy: -109.234
Base-Backbone interact. energy: -0.545
local terms energy: -135.778851
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -174.893655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.893655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.893655 (E_RNA)
where:
Base-Base interactions energy: -63.228
where: short stacking energy: -35.483
Base-Backbone interact. energy: 1.390
local terms energy: -113.055792
where:
bonds (distance) C4'-P energy: -31.064
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -187.615637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.615637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.615637 (E_RNA)
where:
Base-Base interactions energy: -91.801
where: short stacking energy: -56.601
Base-Backbone interact. energy: -0.609
local terms energy: -95.205063
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: 1.626
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -160.037335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.037335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.037335 (E_RNA)
where:
Base-Base interactions energy: -57.312
where: short stacking energy: -53.028
Base-Backbone interact. energy: -0.618
local terms energy: -102.107196
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -141.313409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.313409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.313409 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -40.273
Base-Backbone interact. energy: -1.440
local terms energy: -98.810943
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -531.876285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.876285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.876285 (E_RNA)
where:
Base-Base interactions energy: -361.965
where: short stacking energy: -140.332
Base-Backbone interact. energy: -0.803
local terms energy: -169.107667
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -47.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -512.504608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.504608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.504608 (E_RNA)
where:
Base-Base interactions energy: -353.526
where: short stacking energy: -152.812
Base-Backbone interact. energy: -0.598
local terms energy: -158.380842
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -45.541
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: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -483.708737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.708737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.708737 (E_RNA)
where:
Base-Base interactions energy: -322.050
where: short stacking energy: -135.019
Base-Backbone interact. energy: 0.035
local terms energy: -161.693984
where:
bonds (distance) C4'-P energy: -36.489
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -468.775321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.775321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.775321 (E_RNA)
where:
Base-Base interactions energy: -320.616
where: short stacking energy: -122.753
Base-Backbone interact. energy: -1.012
local terms energy: -147.147212
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -24.624
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: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -433.335428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.335428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.335428 (E_RNA)
where:
Base-Base interactions energy: -280.329
where: short stacking energy: -117.828
Base-Backbone interact. energy: -0.092
local terms energy: -152.913605
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -38.527
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -328.255294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.255294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.255294 (E_RNA)
where:
Base-Base interactions energy: -206.092
where: short stacking energy: -102.311
Base-Backbone interact. energy: -0.161
local terms energy: -122.002758
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -18.415
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: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -151.777047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.777047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.777047 (E_RNA)
where:
Base-Base interactions energy: -46.940
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.218
local terms energy: -104.619465
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -7.984
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: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -163.678471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.678471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.678471 (E_RNA)
where:
Base-Base interactions energy: -70.917
where: short stacking energy: -35.772
Base-Backbone interact. energy: -0.696
local terms energy: -92.065333
where:
bonds (distance) C4'-P energy: -33.027
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: 4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -141.712966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.712966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.712966 (E_RNA)
where:
Base-Base interactions energy: -57.670
where: short stacking energy: -56.192
Base-Backbone interact. energy: 1.967
local terms energy: -86.009802
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -144.080983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.080983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.080983 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -41.344
Base-Backbone interact. energy: -0.998
local terms energy: -99.415164
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -524.975050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.975050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.975050 (E_RNA)
where:
Base-Base interactions energy: -358.228
where: short stacking energy: -147.987
Base-Backbone interact. energy: -0.592
local terms energy: -166.154821
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -42.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -525.877857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.877857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.877857 (E_RNA)
where:
Base-Base interactions energy: -357.217
where: short stacking energy: -145.044
Base-Backbone interact. energy: 0.608
local terms energy: -169.268730
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -485.656770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.656770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.656770 (E_RNA)
where:
Base-Base interactions energy: -344.135
where: short stacking energy: -131.127
Base-Backbone interact. energy: -0.236
local terms energy: -141.285668
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -33.755
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: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -485.423295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.423295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.423295 (E_RNA)
where:
Base-Base interactions energy: -328.927
where: short stacking energy: -142.523
Base-Backbone interact. energy: 0.158
local terms energy: -156.654655
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -38.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -395.467880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.467880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.467880 (E_RNA)
where:
Base-Base interactions energy: -272.454
where: short stacking energy: -108.199
Base-Backbone interact. energy: -0.098
local terms energy: -122.915666
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -349.980765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.980765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.980765 (E_RNA)
where:
Base-Base interactions energy: -208.244
where: short stacking energy: -103.149
Base-Backbone interact. energy: -0.085
local terms energy: -141.652262
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -31.002
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: 54
Temperature: 1.200000
Total energy: -163.169591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.169591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.169591 (E_RNA)
where:
Base-Base interactions energy: -69.157
where: short stacking energy: -58.129
Base-Backbone interact. energy: 3.542
local terms energy: -97.554629
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -26.124
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -155.786545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.786545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.786545 (E_RNA)
where:
Base-Base interactions energy: -57.721
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.464
local terms energy: -97.601881
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -170.562033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.562033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.562033 (E_RNA)
where:
Base-Base interactions energy: -76.098
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.624
local terms energy: -93.840339
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -139.168441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.168441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.168441 (E_RNA)
where:
Base-Base interactions energy: -52.577
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.924
local terms energy: -85.667201
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: 1.647
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: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -525.599321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.599321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.599321 (E_RNA)
where:
Base-Base interactions energy: -367.439
where: short stacking energy: -141.719
Base-Backbone interact. energy: -0.133
local terms energy: -158.027429
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -28.337
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -42.276
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -519.591185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.591185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.591185 (E_RNA)
where:
Base-Base interactions energy: -354.896
where: short stacking energy: -153.314
Base-Backbone interact. energy: 0.581
local terms energy: -165.276450
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -44.141
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -500.977462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.977462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.977462 (E_RNA)
where:
Base-Base interactions energy: -352.333
where: short stacking energy: -143.766
Base-Backbone interact. energy: -0.965
local terms energy: -147.679717
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -39.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -484.258588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.258588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.258588 (E_RNA)
where:
Base-Base interactions energy: -334.797
where: short stacking energy: -150.374
Base-Backbone interact. energy: -0.698
local terms energy: -148.763771
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -408.276489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.276489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.276489 (E_RNA)
where:
Base-Base interactions energy: -272.072
where: short stacking energy: -118.915
Base-Backbone interact. energy: -0.338
local terms energy: -135.866140
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -31.394
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: 55
Temperature: 1.150000
Total energy: -345.225163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.225163 (E_RNA)
where:
Base-Base interactions energy: -214.712
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.618
local terms energy: -129.895600
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -173.962659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.962659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.962659 (E_RNA)
where:
Base-Base interactions energy: -70.399
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.688
local terms energy: -102.875708
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -164.707686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.707686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.707686 (E_RNA)
where:
Base-Base interactions energy: -66.138
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.414
local terms energy: -98.155677
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -8.298
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: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -139.358817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.358817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.358817 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -33.059
Base-Backbone interact. energy: -1.283
local terms energy: -103.663235
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -144.215826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.215826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.215826 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -36.354
Base-Backbone interact. energy: -1.257
local terms energy: -100.340093
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -532.331695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.331695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.331695 (E_RNA)
where:
Base-Base interactions energy: -375.495
where: short stacking energy: -148.377
Base-Backbone interact. energy: -0.053
local terms energy: -156.784175
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -44.133
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -515.322025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.322025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.322025 (E_RNA)
where:
Base-Base interactions energy: -362.171
where: short stacking energy: -139.961
Base-Backbone interact. energy: -0.706
local terms energy: -152.444173
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -40.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -496.473706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.473706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.473706 (E_RNA)
where:
Base-Base interactions energy: -339.877
where: short stacking energy: -131.277
Base-Backbone interact. energy: -1.582
local terms energy: -155.015541
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -38.678
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: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -465.387629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.387629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.387629 (E_RNA)
where:
Base-Base interactions energy: -313.378
where: short stacking energy: -137.543
Base-Backbone interact. energy: -0.776
local terms energy: -151.233241
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -42.707
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: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -414.774923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.774923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.774923 (E_RNA)
where:
Base-Base interactions energy: -263.121
where: short stacking energy: -114.493
Base-Backbone interact. energy: -0.103
local terms energy: -151.551695
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -341.142889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.142889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.142889 (E_RNA)
where:
Base-Base interactions energy: -207.824
where: short stacking energy: -96.325
Base-Backbone interact. energy: -1.688
local terms energy: -131.630449
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -170.826407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.826407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.826407 (E_RNA)
where:
Base-Base interactions energy: -68.798
where: short stacking energy: -46.939
Base-Backbone interact. energy: 1.416
local terms energy: -103.444384
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: 0.167
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: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -189.960130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.960130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.960130 (E_RNA)
where:
Base-Base interactions energy: -97.000
where: short stacking energy: -46.235
Base-Backbone interact. energy: -0.158
local terms energy: -92.801924
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -150.425009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.425009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.425009 (E_RNA)
where:
Base-Base interactions energy: -71.204
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.911
local terms energy: -78.310466
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.902
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: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -142.772294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.772294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.772294 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -39.384
Base-Backbone interact. energy: -0.013
local terms energy: -99.867257
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -533.090279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.090279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.090279 (E_RNA)
where:
Base-Base interactions energy: -374.004
where: short stacking energy: -156.238
Base-Backbone interact. energy: 1.083
local terms energy: -160.169895
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -41.366
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -515.757215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.757215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.757215 (E_RNA)
where:
Base-Base interactions energy: -360.154
where: short stacking energy: -151.464
Base-Backbone interact. energy: -0.076
local terms energy: -155.526672
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -34.029
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -46.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -498.444974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.444974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.444974 (E_RNA)
where:
Base-Base interactions energy: -347.149
where: short stacking energy: -148.386
Base-Backbone interact. energy: -0.945
local terms energy: -150.351042
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -44.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -486.952483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.952483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.952483 (E_RNA)
where:
Base-Base interactions energy: -338.055
where: short stacking energy: -147.692
Base-Backbone interact. energy: -0.300
local terms energy: -148.598010
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -35.822
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -43.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -418.686966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.686966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.686966 (E_RNA)
where:
Base-Base interactions energy: -290.944
where: short stacking energy: -136.470
Base-Backbone interact. energy: 0.797
local terms energy: -128.540392
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -15.602
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: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -348.924434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.924434 (E_RNA)
where:
Base-Base interactions energy: -211.331
where: short stacking energy: -111.523
Base-Backbone interact. energy: -0.592
local terms energy: -137.000948
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -186.644361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.644361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.644361 (E_RNA)
where:
Base-Base interactions energy: -95.230
where: short stacking energy: -68.724
Base-Backbone interact. energy: -1.027
local terms energy: -90.387427
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -29.543
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -14.373
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: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -155.602709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.602709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.602709 (E_RNA)
where:
Base-Base interactions energy: -60.463
where: short stacking energy: -46.520
Base-Backbone interact. energy: 1.110
local terms energy: -96.249166
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -29.479
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -18.201
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: 57
Temperature: 1.300000
Total energy: -172.464298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464298 (E_RNA)
where:
Base-Base interactions energy: -81.346
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.181
local terms energy: -90.937368
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -11.423
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: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -135.186843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.186843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.186843 (E_RNA)
where:
Base-Base interactions energy: -45.264
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.761
local terms energy: -89.161453
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: 2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -526.030917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.030917 (E_RNA)
where:
Base-Base interactions energy: -354.281
where: short stacking energy: -147.515
Base-Backbone interact. energy: -0.162
local terms energy: -171.587823
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -33.008
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -42.300
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -512.458051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.458051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.458051 (E_RNA)
where:
Base-Base interactions energy: -350.658
where: short stacking energy: -144.156
Base-Backbone interact. energy: -0.638
local terms energy: -161.161101
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -503.094290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.094290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.094290 (E_RNA)
where:
Base-Base interactions energy: -340.686
where: short stacking energy: -145.817
Base-Backbone interact. energy: -0.333
local terms energy: -162.074979
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -48.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -493.157200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.157200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.157200 (E_RNA)
where:
Base-Base interactions energy: -348.378
where: short stacking energy: -140.933
Base-Backbone interact. energy: -0.972
local terms energy: -143.806730
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -42.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -433.953302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.953302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.953302 (E_RNA)
where:
Base-Base interactions energy: -278.033
where: short stacking energy: -121.364
Base-Backbone interact. energy: -0.215
local terms energy: -155.704986
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -40.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -342.781738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.781738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.781738 (E_RNA)
where:
Base-Base interactions energy: -211.033
where: short stacking energy: -99.149
Base-Backbone interact. energy: 0.423
local terms energy: -132.172083
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -156.932185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.932185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.932185 (E_RNA)
where:
Base-Base interactions energy: -58.596
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.222
local terms energy: -98.114220
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -172.509231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.509231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.509231 (E_RNA)
where:
Base-Base interactions energy: -74.675
where: short stacking energy: -41.635
Base-Backbone interact. energy: 0.465
local terms energy: -98.298887
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -152.123594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.123594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.123594 (E_RNA)
where:
Base-Base interactions energy: -54.770
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.400
local terms energy: -96.953768
where:
bonds (distance) C4'-P energy: -27.220
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: 2.852
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: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -123.875365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.875365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.875365 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -31.325
Base-Backbone interact. energy: -1.397
local terms energy: -91.099001
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -31.716
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: 7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -529.969256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.969256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.969256 (E_RNA)
where:
Base-Base interactions energy: -363.643
where: short stacking energy: -143.242
Base-Backbone interact. energy: -0.393
local terms energy: -165.933060
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -522.333555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.333555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.333555 (E_RNA)
where:
Base-Base interactions energy: -361.282
where: short stacking energy: -158.480
Base-Backbone interact. energy: -0.429
local terms energy: -160.621886
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -47.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -507.644472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.644472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.644472 (E_RNA)
where:
Base-Base interactions energy: -356.329
where: short stacking energy: -146.434
Base-Backbone interact. energy: -1.608
local terms energy: -149.707348
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -490.905033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.905033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.905033 (E_RNA)
where:
Base-Base interactions energy: -344.899
where: short stacking energy: -128.291
Base-Backbone interact. energy: -0.962
local terms energy: -145.043500
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -28.857
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -39.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -417.402942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.402942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.402942 (E_RNA)
where:
Base-Base interactions energy: -287.659
where: short stacking energy: -126.163
Base-Backbone interact. energy: -0.530
local terms energy: -129.214219
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -35.760
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -338.145149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.145149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.145149 (E_RNA)
where:
Base-Base interactions energy: -206.472
where: short stacking energy: -101.212
Base-Backbone interact. energy: 0.434
local terms energy: -132.107298
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -30.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -169.100585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.100585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.100585 (E_RNA)
where:
Base-Base interactions energy: -71.028
where: short stacking energy: -43.923
Base-Backbone interact. energy: -1.332
local terms energy: -96.740378
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -188.027428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027428 (E_RNA)
where:
Base-Base interactions energy: -98.073
where: short stacking energy: -37.272
Base-Backbone interact. energy: 3.536
local terms energy: -93.490923
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -152.216875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.216875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.216875 (E_RNA)
where:
Base-Base interactions energy: -54.740
where: short stacking energy: -41.623
Base-Backbone interact. energy: -1.193
local terms energy: -96.283855
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -146.769118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.769118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.769118 (E_RNA)
where:
Base-Base interactions energy: -62.714
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.435
local terms energy: -83.620272
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: 9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -528.970580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.970580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.970580 (E_RNA)
where:
Base-Base interactions energy: -356.066
where: short stacking energy: -150.944
Base-Backbone interact. energy: -1.634
local terms energy: -171.270278
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -31.178
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -50.804
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -517.876021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.876021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.876021 (E_RNA)
where:
Base-Base interactions energy: -351.515
where: short stacking energy: -137.022
Base-Backbone interact. energy: -0.998
local terms energy: -165.362403
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -35.058
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -42.357
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -506.498963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.498963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.498963 (E_RNA)
where:
Base-Base interactions energy: -356.141
where: short stacking energy: -131.214
Base-Backbone interact. energy: -1.088
local terms energy: -149.269882
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -40.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -471.163637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.163637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.163637 (E_RNA)
where:
Base-Base interactions energy: -312.460
where: short stacking energy: -136.537
Base-Backbone interact. energy: -0.250
local terms energy: -158.453849
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -38.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -423.961952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.961952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.961952 (E_RNA)
where:
Base-Base interactions energy: -282.292
where: short stacking energy: -119.449
Base-Backbone interact. energy: -0.925
local terms energy: -140.745120
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -35.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -330.224295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.224295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.224295 (E_RNA)
where:
Base-Base interactions energy: -208.008
where: short stacking energy: -101.235
Base-Backbone interact. energy: -1.293
local terms energy: -120.923204
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -178.362870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.362870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.362870 (E_RNA)
where:
Base-Base interactions energy: -78.423
where: short stacking energy: -59.766
Base-Backbone interact. energy: -0.164
local terms energy: -99.776301
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -29.161
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -162.251369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.251369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.251369 (E_RNA)
where:
Base-Base interactions energy: -65.882
where: short stacking energy: -62.023
Base-Backbone interact. energy: 1.272
local terms energy: -97.641347
where:
bonds (distance) C4'-P energy: -26.107
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -155.656700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.656700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.656700 (E_RNA)
where:
Base-Base interactions energy: -71.740
where: short stacking energy: -53.158
Base-Backbone interact. energy: 0.789
local terms energy: -84.705806
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: 3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -136.146517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.146517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.146517 (E_RNA)
where:
Base-Base interactions energy: -46.404
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.314
local terms energy: -89.428362
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: 1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -530.844185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.844185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.844185 (E_RNA)
where:
Base-Base interactions energy: -370.036
where: short stacking energy: -153.387
Base-Backbone interact. energy: -0.880
local terms energy: -159.927672
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -50.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -519.165251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.165251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.165251 (E_RNA)
where:
Base-Base interactions energy: -367.337
where: short stacking energy: -146.323
Base-Backbone interact. energy: 0.752
local terms energy: -152.580577
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -39.650
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -487.409797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.409797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.409797 (E_RNA)
where:
Base-Base interactions energy: -345.616
where: short stacking energy: -128.604
Base-Backbone interact. energy: -1.385
local terms energy: -140.409403
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -39.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -499.495195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.495195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.495195 (E_RNA)
where:
Base-Base interactions energy: -345.511
where: short stacking energy: -152.087
Base-Backbone interact. energy: 1.917
local terms energy: -155.900844
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -38.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -435.995818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.995818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.995818 (E_RNA)
where:
Base-Base interactions energy: -288.448
where: short stacking energy: -125.464
Base-Backbone interact. energy: -1.248
local terms energy: -146.299956
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -38.971
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -350.578707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.578707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.578707 (E_RNA)
where:
Base-Base interactions energy: -214.641
where: short stacking energy: -113.594
Base-Backbone interact. energy: -0.125
local terms energy: -135.813576
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -31.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -186.701174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.701174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701174 (E_RNA)
where:
Base-Base interactions energy: -79.262
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.334
local terms energy: -107.105112
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -150.567307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.567307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.567307 (E_RNA)
where:
Base-Base interactions energy: -58.340
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.304
local terms energy: -91.923143
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -146.766818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.766818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.766818 (E_RNA)
where:
Base-Base interactions energy: -61.260
where: short stacking energy: -50.798
Base-Backbone interact. energy: 0.190
local terms energy: -85.696959
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: 1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -161.262385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.262385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.262385 (E_RNA)
where:
Base-Base interactions energy: -80.389
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.785
local terms energy: -80.088502
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -535.686201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.686201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.686201 (E_RNA)
where:
Base-Base interactions energy: -363.777
where: short stacking energy: -151.489
Base-Backbone interact. energy: -0.523
local terms energy: -171.385527
where:
bonds (distance) C4'-P energy: -35.515
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -50.993
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: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -508.136486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.136486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.136486 (E_RNA)
where:
Base-Base interactions energy: -346.193
where: short stacking energy: -144.337
Base-Backbone interact. energy: -0.226
local terms energy: -161.717580
where:
bonds (distance) C4'-P energy: -35.172
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -42.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -506.212290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.212290 (E_RNA)
where:
Base-Base interactions energy: -355.147
where: short stacking energy: -139.154
Base-Backbone interact. energy: -0.030
local terms energy: -151.035616
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -40.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -482.315188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.315188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.315188 (E_RNA)
where:
Base-Base interactions energy: -338.242
where: short stacking energy: -125.938
Base-Backbone interact. energy: 3.672
local terms energy: -147.745723
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -43.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -437.238277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.238277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.238277 (E_RNA)
where:
Base-Base interactions energy: -298.309
where: short stacking energy: -114.227
Base-Backbone interact. energy: -1.289
local terms energy: -137.640224
where:
bonds (distance) C4'-P energy: -32.104
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -34.427
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: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -297.874765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.874765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.874765 (E_RNA)
where:
Base-Base interactions energy: -192.012
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.344
local terms energy: -105.519180
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -17.388
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: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -205.299332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299332 (E_RNA)
where:
Base-Base interactions energy: -81.576
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.967
local terms energy: -122.756869
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -160.619753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.619753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.619753 (E_RNA)
where:
Base-Base interactions energy: -72.051
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.593
local terms energy: -87.975592
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -160.997445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.997445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.997445 (E_RNA)
where:
Base-Base interactions energy: -73.001
where: short stacking energy: -35.891
Base-Backbone interact. energy: -0.401
local terms energy: -87.594567
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -128.734743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.734743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.734743 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.303
local terms energy: -89.564932
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -523.014665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.014665 (E_RNA)
where:
Base-Base interactions energy: -352.851
where: short stacking energy: -145.531
Base-Backbone interact. energy: -1.061
local terms energy: -169.103176
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -45.153
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: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -522.908475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.908475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.908475 (E_RNA)
where:
Base-Base interactions energy: -352.653
where: short stacking energy: -155.338
Base-Backbone interact. energy: -0.897
local terms energy: -169.358642
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -38.954
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -49.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -489.132918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.132918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.132918 (E_RNA)
where:
Base-Base interactions energy: -339.039
where: short stacking energy: -148.464
Base-Backbone interact. energy: -0.171
local terms energy: -149.922969
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -449.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.882414 (E_RNA)
where:
Base-Base interactions energy: -303.859
where: short stacking energy: -136.236
Base-Backbone interact. energy: -2.044
local terms energy: -143.978780
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -463.669233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.669233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.669233 (E_RNA)
where:
Base-Base interactions energy: -323.769
where: short stacking energy: -133.124
Base-Backbone interact. energy: -1.136
local terms energy: -138.764154
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -35.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -326.496719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.496719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.496719 (E_RNA)
where:
Base-Base interactions energy: -200.065
where: short stacking energy: -88.148
Base-Backbone interact. energy: -1.165
local terms energy: -125.266028
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -223.956496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.956496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.956496 (E_RNA)
where:
Base-Base interactions energy: -112.525
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.700
local terms energy: -110.732031
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -160.954278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.954278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.954278 (E_RNA)
where:
Base-Base interactions energy: -72.388
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.756
local terms energy: -87.810330
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -151.859004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.859004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.859004 (E_RNA)
where:
Base-Base interactions energy: -54.560
where: short stacking energy: -34.718
Base-Backbone interact. energy: -1.628
local terms energy: -95.670580
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -162.206206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.206206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.206206 (E_RNA)
where:
Base-Base interactions energy: -75.142
where: short stacking energy: -70.371
Base-Backbone interact. energy: 3.013
local terms energy: -90.076447
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -535.505811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.505811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.505811 (E_RNA)
where:
Base-Base interactions energy: -374.977
where: short stacking energy: -154.912
Base-Backbone interact. energy: -0.126
local terms energy: -160.402563
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -43.477
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: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -504.895856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.895856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.895856 (E_RNA)
where:
Base-Base interactions energy: -333.298
where: short stacking energy: -144.012
Base-Backbone interact. energy: -0.479
local terms energy: -171.119580
where:
bonds (distance) C4'-P energy: -37.140
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -48.770
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: 64
Temperature: 1.000000
Total energy: -494.017948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.017948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.017948 (E_RNA)
where:
Base-Base interactions energy: -341.087
where: short stacking energy: -144.802
Base-Backbone interact. energy: -0.108
local terms energy: -152.822669
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -43.608
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -464.899440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.899440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.899440 (E_RNA)
where:
Base-Base interactions energy: -312.408
where: short stacking energy: -135.518
Base-Backbone interact. energy: -0.265
local terms energy: -152.226974
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -460.807345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.807345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.807345 (E_RNA)
where:
Base-Base interactions energy: -325.368
where: short stacking energy: -121.968
Base-Backbone interact. energy: -0.633
local terms energy: -134.806878
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -36.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -313.450459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.450459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.450459 (E_RNA)
where:
Base-Base interactions energy: -184.987
where: short stacking energy: -88.570
Base-Backbone interact. energy: 0.308
local terms energy: -128.771517
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -26.010
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: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -240.393869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.393869 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -77.891
Base-Backbone interact. energy: -1.828
local terms energy: -102.072129
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -156.129167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.129167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.129167 (E_RNA)
where:
Base-Base interactions energy: -63.673
where: short stacking energy: -48.890
Base-Backbone interact. energy: 1.339
local terms energy: -93.794355
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -159.228742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.228742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.228742 (E_RNA)
where:
Base-Base interactions energy: -68.149
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.146
local terms energy: -90.933546
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: 3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -135.242170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.242170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.242170 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -31.115
Base-Backbone interact. energy: 0.198
local terms energy: -100.097577
where:
bonds (distance) C4'-P energy: -34.577
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: 6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -536.308828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.308828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.308828 (E_RNA)
where:
Base-Base interactions energy: -380.044
where: short stacking energy: -155.840
Base-Backbone interact. energy: -0.562
local terms energy: -155.703574
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -33.311
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -39.298
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -510.028831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.028831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.028831 (E_RNA)
where:
Base-Base interactions energy: -341.746
where: short stacking energy: -141.707
Base-Backbone interact. energy: -1.646
local terms energy: -166.637133
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -42.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -508.600951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.600951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.600951 (E_RNA)
where:
Base-Base interactions energy: -346.916
where: short stacking energy: -144.145
Base-Backbone interact. energy: 0.924
local terms energy: -162.608323
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -483.944069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.944069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.944069 (E_RNA)
where:
Base-Base interactions energy: -333.623
where: short stacking energy: -131.098
Base-Backbone interact. energy: -0.107
local terms energy: -150.213905
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -38.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -431.607352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.607352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.607352 (E_RNA)
where:
Base-Base interactions energy: -291.823
where: short stacking energy: -124.908
Base-Backbone interact. energy: -0.249
local terms energy: -139.534737
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -41.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -310.682038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.682038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.682038 (E_RNA)
where:
Base-Base interactions energy: -193.295
where: short stacking energy: -88.156
Base-Backbone interact. energy: -1.246
local terms energy: -116.140482
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -16.912
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: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -234.943241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.943241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.943241 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -81.417
Base-Backbone interact. energy: -0.691
local terms energy: -119.715332
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -181.481431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.481431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.481431 (E_RNA)
where:
Base-Base interactions energy: -78.647
where: short stacking energy: -51.838
Base-Backbone interact. energy: -1.063
local terms energy: -101.771286
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -21.470
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: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -155.429274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.429274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.429274 (E_RNA)
where:
Base-Base interactions energy: -51.938
where: short stacking energy: -42.139
Base-Backbone interact. energy: -0.570
local terms energy: -102.921135
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -194.936319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.936319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.936319 (E_RNA)
where:
Base-Base interactions energy: -105.483
where: short stacking energy: -50.656
Base-Backbone interact. energy: 4.381
local terms energy: -93.834744
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -534.637127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.637127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.637127 (E_RNA)
where:
Base-Base interactions energy: -377.805
where: short stacking energy: -152.340
Base-Backbone interact. energy: -1.378
local terms energy: -155.453888
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -41.624
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -520.660327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.660327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.660327 (E_RNA)
where:
Base-Base interactions energy: -349.456
where: short stacking energy: -145.683
Base-Backbone interact. energy: -0.386
local terms energy: -170.818844
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -32.366
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -48.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -526.490318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.490318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.490318 (E_RNA)
where:
Base-Base interactions energy: -359.875
where: short stacking energy: -145.899
Base-Backbone interact. energy: -0.088
local terms energy: -166.526988
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -35.899
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -42.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -494.317736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.317736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.317736 (E_RNA)
where:
Base-Base interactions energy: -346.796
where: short stacking energy: -136.840
Base-Backbone interact. energy: -1.468
local terms energy: -146.054244
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -412.011367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.011367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.011367 (E_RNA)
where:
Base-Base interactions energy: -279.953
where: short stacking energy: -101.500
Base-Backbone interact. energy: -1.056
local terms energy: -131.002316
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -27.853
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -299.953539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.953539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.953539 (E_RNA)
where:
Base-Base interactions energy: -188.403
where: short stacking energy: -80.512
Base-Backbone interact. energy: 0.931
local terms energy: -112.481538
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -16.483
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: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -242.835873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.835873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.835873 (E_RNA)
where:
Base-Base interactions energy: -137.205
where: short stacking energy: -73.449
Base-Backbone interact. energy: -0.550
local terms energy: -105.080932
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -9.815
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -160.266554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.266554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.266554 (E_RNA)
where:
Base-Base interactions energy: -58.778
where: short stacking energy: -32.543
Base-Backbone interact. energy: -1.523
local terms energy: -99.964684
where:
bonds (distance) C4'-P energy: -32.486
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -198.357159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.357159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.357159 (E_RNA)
where:
Base-Base interactions energy: -115.965
where: short stacking energy: -60.939
Base-Backbone interact. energy: 0.200
local terms energy: -82.592363
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -133.985000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.985000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.985000 (E_RNA)
where:
Base-Base interactions energy: -61.315
where: short stacking energy: -49.310
Base-Backbone interact. energy: 2.715
local terms energy: -75.384627
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: 0.398
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: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -527.498595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.498595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.498595 (E_RNA)
where:
Base-Base interactions energy: -368.083
where: short stacking energy: -153.539
Base-Backbone interact. energy: -0.739
local terms energy: -158.676933
where:
bonds (distance) C4'-P energy: -29.355
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -41.230
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: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -520.470124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.470124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.470124 (E_RNA)
where:
Base-Base interactions energy: -358.633
where: short stacking energy: -150.692
Base-Backbone interact. energy: -0.066
local terms energy: -161.771325
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -507.305724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.305724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.305724 (E_RNA)
where:
Base-Base interactions energy: -342.961
where: short stacking energy: -151.603
Base-Backbone interact. energy: -0.462
local terms energy: -163.882350
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -51.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -412.275927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.275927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.275927 (E_RNA)
where:
Base-Base interactions energy: -275.954
where: short stacking energy: -123.480
Base-Backbone interact. energy: 0.006
local terms energy: -136.328087
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -36.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -478.353457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.353457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.353457 (E_RNA)
where:
Base-Base interactions energy: -333.578
where: short stacking energy: -130.158
Base-Backbone interact. energy: -0.709
local terms energy: -144.066959
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -37.347
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: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -340.711094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.711094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.711094 (E_RNA)
where:
Base-Base interactions energy: -199.217
where: short stacking energy: -91.280
Base-Backbone interact. energy: -1.132
local terms energy: -140.362216
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -30.587
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -32.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -217.422511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422511 (E_RNA)
where:
Base-Base interactions energy: -121.223
where: short stacking energy: -59.864
Base-Backbone interact. energy: 3.519
local terms energy: -99.718519
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -176.718941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.718941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.718941 (E_RNA)
where:
Base-Base interactions energy: -71.217
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.062
local terms energy: -105.439867
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -153.477094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.477094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.477094 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -44.291
Base-Backbone interact. energy: 0.207
local terms energy: -106.519554
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -132.642955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.642955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.642955 (E_RNA)
where:
Base-Base interactions energy: -45.848
where: short stacking energy: -34.093
Base-Backbone interact. energy: 0.231
local terms energy: -87.026126
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -527.463396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.463396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.463396 (E_RNA)
where:
Base-Base interactions energy: -349.053
where: short stacking energy: -153.528
Base-Backbone interact. energy: -0.868
local terms energy: -177.542829
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -28.224
tors. eta vs tors. theta energy: -49.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -530.937470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.937470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.937470 (E_RNA)
where:
Base-Base interactions energy: -360.505
where: short stacking energy: -165.767
Base-Backbone interact. energy: 0.576
local terms energy: -171.008485
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -48.537
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: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -488.695957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.695957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.695957 (E_RNA)
where:
Base-Base interactions energy: -330.786
where: short stacking energy: -147.482
Base-Backbone interact. energy: -0.203
local terms energy: -157.707594
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -48.204
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: 68
Temperature: 1.050000
Total energy: -433.827145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.827145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.827145 (E_RNA)
where:
Base-Base interactions energy: -283.496
where: short stacking energy: -123.173
Base-Backbone interact. energy: -0.629
local terms energy: -149.701934
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -38.498
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: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -478.870320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.870320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.870320 (E_RNA)
where:
Base-Base interactions energy: -337.602
where: short stacking energy: -137.321
Base-Backbone interact. energy: -0.623
local terms energy: -140.645300
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -41.964
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: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -341.735018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.735018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.735018 (E_RNA)
where:
Base-Base interactions energy: -214.210
where: short stacking energy: -96.253
Base-Backbone interact. energy: -0.479
local terms energy: -127.046070
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -236.071859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.071859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.071859 (E_RNA)
where:
Base-Base interactions energy: -136.061
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.329
local terms energy: -99.681817
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -15.786
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: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -180.594650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.594650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.594650 (E_RNA)
where:
Base-Base interactions energy: -82.813
where: short stacking energy: -66.502
Base-Backbone interact. energy: 1.698
local terms energy: -99.479282
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -195.445531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.445531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.445531 (E_RNA)
where:
Base-Base interactions energy: -82.288
where: short stacking energy: -51.717
Base-Backbone interact. energy: -0.197
local terms energy: -112.960707
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -146.089124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.089124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.089124 (E_RNA)
where:
Base-Base interactions energy: -61.768
where: short stacking energy: -39.997
Base-Backbone interact. energy: 0.549
local terms energy: -84.870241
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -520.025351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.025351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.025351 (E_RNA)
where:
Base-Base interactions energy: -350.177
where: short stacking energy: -148.973
Base-Backbone interact. energy: -0.140
local terms energy: -169.708320
where:
bonds (distance) C4'-P energy: -35.228
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -520.205053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.205053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.205053 (E_RNA)
where:
Base-Base interactions energy: -347.648
where: short stacking energy: -150.607
Base-Backbone interact. energy: -0.112
local terms energy: -172.444623
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -48.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -525.697006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.697006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.697006 (E_RNA)
where:
Base-Base interactions energy: -357.739
where: short stacking energy: -160.104
Base-Backbone interact. energy: -0.003
local terms energy: -167.955013
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -44.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -499.708821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.708821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.708821 (E_RNA)
where:
Base-Base interactions energy: -359.694
where: short stacking energy: -134.114
Base-Backbone interact. energy: -0.805
local terms energy: -139.210595
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -40.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -410.364603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.364603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.364603 (E_RNA)
where:
Base-Base interactions energy: -277.001
where: short stacking energy: -115.532
Base-Backbone interact. energy: -0.531
local terms energy: -132.832277
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -346.509832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.509832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.509832 (E_RNA)
where:
Base-Base interactions energy: -215.949
where: short stacking energy: -109.753
Base-Backbone interact. energy: 0.732
local terms energy: -131.293605
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -29.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -217.871444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.871444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.871444 (E_RNA)
where:
Base-Base interactions energy: -113.582
where: short stacking energy: -64.783
Base-Backbone interact. energy: 2.427
local terms energy: -106.716386
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -10.282
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: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -166.843483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.843483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843483 (E_RNA)
where:
Base-Base interactions energy: -74.444
where: short stacking energy: -51.370
Base-Backbone interact. energy: 0.526
local terms energy: -92.925189
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -4.169
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: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -154.387500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.387500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.387500 (E_RNA)
where:
Base-Base interactions energy: -72.136
where: short stacking energy: -44.522
Base-Backbone interact. energy: 1.206
local terms energy: -83.458280
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -2.485
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: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -145.006705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.006705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.006705 (E_RNA)
where:
Base-Base interactions energy: -55.604
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.038
local terms energy: -89.364794
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -6.731
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: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -516.287552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.287552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.287552 (E_RNA)
where:
Base-Base interactions energy: -356.918
where: short stacking energy: -144.912
Base-Backbone interact. energy: -0.727
local terms energy: -158.642141
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: -38.655
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: 70
Temperature: 0.950000
Total energy: -506.752272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.752272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.752272 (E_RNA)
where:
Base-Base interactions energy: -352.612
where: short stacking energy: -142.480
Base-Backbone interact. energy: -0.185
local terms energy: -153.955668
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -48.525
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: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -509.491209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.491209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.491209 (E_RNA)
where:
Base-Base interactions energy: -359.491
where: short stacking energy: -141.560
Base-Backbone interact. energy: -0.126
local terms energy: -149.874408
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -37.079
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -498.202804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.202804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.202804 (E_RNA)
where:
Base-Base interactions energy: -341.299
where: short stacking energy: -140.645
Base-Backbone interact. energy: -0.199
local terms energy: -156.705471
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -43.452
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: 70
Temperature: 1.100000
Total energy: -434.221881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.221881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.221881 (E_RNA)
where:
Base-Base interactions energy: -282.677
where: short stacking energy: -113.400
Base-Backbone interact. energy: -0.260
local terms energy: -151.284133
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -36.923
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -339.096612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.096612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.096612 (E_RNA)
where:
Base-Base interactions energy: -221.192
where: short stacking energy: -108.246
Base-Backbone interact. energy: -0.559
local terms energy: -117.345503
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -249.331955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.331955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.331955 (E_RNA)
where:
Base-Base interactions energy: -135.494
where: short stacking energy: -48.476
Base-Backbone interact. energy: -2.427
local terms energy: -111.411592
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -224.260506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.260506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.260506 (E_RNA)
where:
Base-Base interactions energy: -122.440
where: short stacking energy: -71.341
Base-Backbone interact. energy: 0.812
local terms energy: -102.633002
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -16.584
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -145.045185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.045185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.045185 (E_RNA)
where:
Base-Base interactions energy: -57.849
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.621
local terms energy: -86.574509
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -1.323
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: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -166.095662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.095662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.095662 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -47.660
Base-Backbone interact. energy: -0.443
local terms energy: -86.454315
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -520.743568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.743568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.743568 (E_RNA)
where:
Base-Base interactions energy: -350.346
where: short stacking energy: -149.338
Base-Backbone interact. energy: 0.017
local terms energy: -170.414779
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: -42.357
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: 71
Temperature: 0.950000
Total energy: -520.884833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.884833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.884833 (E_RNA)
where:
Base-Base interactions energy: -361.573
where: short stacking energy: -138.331
Base-Backbone interact. energy: 0.768
local terms energy: -160.079868
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -45.236
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: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -502.991790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.991790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.991790 (E_RNA)
where:
Base-Base interactions energy: -356.117
where: short stacking energy: -137.496
Base-Backbone interact. energy: -1.193
local terms energy: -145.682474
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -25.805
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -39.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -498.265623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.265623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.265623 (E_RNA)
where:
Base-Base interactions energy: -341.510
where: short stacking energy: -131.363
Base-Backbone interact. energy: 0.245
local terms energy: -157.000371
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -37.718
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -429.139230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.139230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.139230 (E_RNA)
where:
Base-Base interactions energy: -279.278
where: short stacking energy: -127.536
Base-Backbone interact. energy: -0.522
local terms energy: -149.338942
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -27.991
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -269.076236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.076236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.076236 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -69.580
Base-Backbone interact. energy: -3.253
local terms energy: -113.749643
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -18.592
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: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -323.832661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.832661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.832661 (E_RNA)
where:
Base-Base interactions energy: -208.017
where: short stacking energy: -107.534
Base-Backbone interact. energy: 0.167
local terms energy: -115.982959
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -238.494277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.494277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.494277 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -59.518
Base-Backbone interact. energy: 0.970
local terms energy: -106.678596
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -12.943
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: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -157.623389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.623389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.623389 (E_RNA)
where:
Base-Base interactions energy: -55.991
where: short stacking energy: -55.499
Base-Backbone interact. energy: 1.734
local terms energy: -103.366486
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -14.588
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: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -176.864377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.864377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.864377 (E_RNA)
where:
Base-Base interactions energy: -82.733
where: short stacking energy: -57.033
Base-Backbone interact. energy: 6.670
local terms energy: -100.802047
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -531.736291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.736291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.736291 (E_RNA)
where:
Base-Base interactions energy: -364.688
where: short stacking energy: -142.664
Base-Backbone interact. energy: 2.114
local terms energy: -169.162197
where:
bonds (distance) C4'-P energy: -36.657
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -510.146607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.146607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.146607 (E_RNA)
where:
Base-Base interactions energy: -346.610
where: short stacking energy: -155.681
Base-Backbone interact. energy: -0.960
local terms energy: -162.576955
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -47.493
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: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -505.673810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.673810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.673810 (E_RNA)
where:
Base-Base interactions energy: -359.341
where: short stacking energy: -136.217
Base-Backbone interact. energy: -0.398
local terms energy: -145.934376
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -39.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -493.410378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.410378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.410378 (E_RNA)
where:
Base-Base interactions energy: -344.677
where: short stacking energy: -137.025
Base-Backbone interact. energy: 1.090
local terms energy: -149.824000
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -40.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -429.260218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.260218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.260218 (E_RNA)
where:
Base-Base interactions energy: -278.230
where: short stacking energy: -128.154
Base-Backbone interact. energy: -0.181
local terms energy: -150.849111
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -37.628
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: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -236.257534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.257534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.257534 (E_RNA)
where:
Base-Base interactions energy: -116.141
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.620
local terms energy: -119.495696
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -328.948588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.948588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.948588 (E_RNA)
where:
Base-Base interactions energy: -211.468
where: short stacking energy: -104.629
Base-Backbone interact. energy: -0.856
local terms energy: -116.624561
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -183.231575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.231575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.231575 (E_RNA)
where:
Base-Base interactions energy: -97.559
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.297
local terms energy: -85.376140
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -2.747
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -148.135404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.135404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.135404 (E_RNA)
where:
Base-Base interactions energy: -57.749
where: short stacking energy: -54.489
Base-Backbone interact. energy: -1.254
local terms energy: -89.132417
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -134.010983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.010983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.010983 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.313
local terms energy: -98.057968
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -20.577
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: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -540.250164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.250164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.250164 (E_RNA)
where:
Base-Base interactions energy: -372.605
where: short stacking energy: -149.701
Base-Backbone interact. energy: -0.504
local terms energy: -167.141168
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -48.268
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: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -508.493557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.493557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.493557 (E_RNA)
where:
Base-Base interactions energy: -353.867
where: short stacking energy: -135.120
Base-Backbone interact. energy: -0.494
local terms energy: -154.132766
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -31.355
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -38.419
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -509.290236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.290236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.290236 (E_RNA)
where:
Base-Base interactions energy: -351.469
where: short stacking energy: -141.324
Base-Backbone interact. energy: -1.238
local terms energy: -156.583314
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -40.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -501.245792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.245792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.245792 (E_RNA)
where:
Base-Base interactions energy: -355.754
where: short stacking energy: -141.019
Base-Backbone interact. energy: -0.649
local terms energy: -144.842882
where:
bonds (distance) C4'-P energy: -25.940
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -45.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -440.150621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.150621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.150621 (E_RNA)
where:
Base-Base interactions energy: -286.363
where: short stacking energy: -126.676
Base-Backbone interact. energy: 0.396
local terms energy: -154.183647
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -38.871
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -372.065337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.065337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.065337 (E_RNA)
where:
Base-Base interactions energy: -232.440
where: short stacking energy: -116.306
Base-Backbone interact. energy: -0.100
local terms energy: -139.524936
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -37.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -212.106771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.106771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.106771 (E_RNA)
where:
Base-Base interactions energy: -111.182
where: short stacking energy: -58.809
Base-Backbone interact. energy: -1.859
local terms energy: -99.065458
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -163.729243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.729243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.729243 (E_RNA)
where:
Base-Base interactions energy: -63.281
where: short stacking energy: -51.164
Base-Backbone interact. energy: 0.839
local terms energy: -101.287474
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -151.856395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.856395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.856395 (E_RNA)
where:
Base-Base interactions energy: -52.528
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.662
local terms energy: -98.666587
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -26.124
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: 4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -147.557905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.557905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.557905 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -51.726
Base-Backbone interact. energy: -0.374
local terms energy: -92.432172
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -533.947361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.947361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.947361 (E_RNA)
where:
Base-Base interactions energy: -362.804
where: short stacking energy: -151.667
Base-Backbone interact. energy: 1.374
local terms energy: -172.517265
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -48.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -523.899623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.899623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.899623 (E_RNA)
where:
Base-Base interactions energy: -366.070
where: short stacking energy: -158.845
Base-Backbone interact. energy: 0.263
local terms energy: -158.092332
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -31.020
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -43.510
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: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -506.175542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.175542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.175542 (E_RNA)
where:
Base-Base interactions energy: -350.846
where: short stacking energy: -150.389
Base-Backbone interact. energy: -0.112
local terms energy: -155.218186
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -45.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -485.117981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.117981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.117981 (E_RNA)
where:
Base-Base interactions energy: -334.567
where: short stacking energy: -142.505
Base-Backbone interact. energy: -0.445
local terms energy: -150.106217
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -40.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -423.149121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.149121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.149121 (E_RNA)
where:
Base-Base interactions energy: -287.181
where: short stacking energy: -126.249
Base-Backbone interact. energy: -2.333
local terms energy: -133.635111
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -34.317
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -373.295090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.295090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.295090 (E_RNA)
where:
Base-Base interactions energy: -235.500
where: short stacking energy: -114.316
Base-Backbone interact. energy: 0.131
local terms energy: -137.926096
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -32.916
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: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -249.160035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.160035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.160035 (E_RNA)
where:
Base-Base interactions energy: -133.434
where: short stacking energy: -65.427
Base-Backbone interact. energy: 0.419
local terms energy: -116.145293
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -182.043927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.043927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.043927 (E_RNA)
where:
Base-Base interactions energy: -79.233
where: short stacking energy: -47.023
Base-Backbone interact. energy: 0.026
local terms energy: -102.837179
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -23.066
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -152.182481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.182481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.182481 (E_RNA)
where:
Base-Base interactions energy: -58.139
where: short stacking energy: -51.305
Base-Backbone interact. energy: -0.199
local terms energy: -93.844793
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -144.734740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.734740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.734740 (E_RNA)
where:
Base-Base interactions energy: -54.749
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.846
local terms energy: -89.139345
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -532.000808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.000808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.000808 (E_RNA)
where:
Base-Base interactions energy: -354.385
where: short stacking energy: -147.707
Base-Backbone interact. energy: -0.383
local terms energy: -177.233127
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -35.909
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -48.364
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -515.945061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.945061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.945061 (E_RNA)
where:
Base-Base interactions energy: -354.915
where: short stacking energy: -158.965
Base-Backbone interact. energy: 2.162
local terms energy: -163.191395
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -515.704035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.704035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.704035 (E_RNA)
where:
Base-Base interactions energy: -356.022
where: short stacking energy: -143.927
Base-Backbone interact. energy: -0.855
local terms energy: -158.826892
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -39.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -508.669432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.669432 (E_RNA)
where:
Base-Base interactions energy: -343.597
where: short stacking energy: -147.364
Base-Backbone interact. energy: -1.314
local terms energy: -163.758786
where:
bonds (distance) C4'-P energy: -27.928
bonds (distance) P-C4' energy: -32.651
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -43.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -396.568478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.568478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.568478 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -126.326
Base-Backbone interact. energy: -0.899
local terms energy: -135.637221
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -17.815
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -360.715864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.715864 (E_RNA)
where:
Base-Base interactions energy: -221.100
where: short stacking energy: -115.819
Base-Backbone interact. energy: -0.866
local terms energy: -138.749452
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -36.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -269.504270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.504270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.504270 (E_RNA)
where:
Base-Base interactions energy: -148.218
where: short stacking energy: -90.835
Base-Backbone interact. energy: 0.629
local terms energy: -121.915574
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -155.972645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.972645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.972645 (E_RNA)
where:
Base-Base interactions energy: -57.618
where: short stacking energy: -53.917
Base-Backbone interact. energy: -0.369
local terms energy: -97.985503
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -3.546
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: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -154.558779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.558779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.558779 (E_RNA)
where:
Base-Base interactions energy: -49.225
where: short stacking energy: -43.192
Base-Backbone interact. energy: -0.507
local terms energy: -104.826626
where:
bonds (distance) C4'-P energy: -31.297
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -139.384076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.384076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.384076 (E_RNA)
where:
Base-Base interactions energy: -51.999
where: short stacking energy: -44.684
Base-Backbone interact. energy: 1.173
local terms energy: -88.557799
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -3.459
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -528.684054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.684054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.684054 (E_RNA)
where:
Base-Base interactions energy: -363.829
where: short stacking energy: -159.442
Base-Backbone interact. energy: -0.357
local terms energy: -164.497405
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -49.948
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: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -511.462774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.462774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.462774 (E_RNA)
where:
Base-Base interactions energy: -349.445
where: short stacking energy: -150.318
Base-Backbone interact. energy: -0.159
local terms energy: -161.859008
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -49.268
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -502.641241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.641241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.641241 (E_RNA)
where:
Base-Base interactions energy: -344.321
where: short stacking energy: -150.996
Base-Backbone interact. energy: 0.431
local terms energy: -158.751343
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -41.511
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -510.228788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.228788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.228788 (E_RNA)
where:
Base-Base interactions energy: -368.296
where: short stacking energy: -143.257
Base-Backbone interact. energy: -0.504
local terms energy: -141.428787
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -42.404
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: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -405.990942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.990942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.990942 (E_RNA)
where:
Base-Base interactions energy: -263.701
where: short stacking energy: -113.808
Base-Backbone interact. energy: -1.184
local terms energy: -141.105907
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -329.640976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.640976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.640976 (E_RNA)
where:
Base-Base interactions energy: -213.101
where: short stacking energy: -98.509
Base-Backbone interact. energy: -0.935
local terms energy: -115.604853
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -229.810152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.810152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.810152 (E_RNA)
where:
Base-Base interactions energy: -120.831
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.709
local terms energy: -108.269390
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -168.072872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.072872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.072872 (E_RNA)
where:
Base-Base interactions energy: -68.733
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.332
local terms energy: -99.007536
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -147.505295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.505295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.505295 (E_RNA)
where:
Base-Base interactions energy: -46.361
where: short stacking energy: -45.411
Base-Backbone interact. energy: -0.315
local terms energy: -100.828638
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -151.629890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.629890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.629890 (E_RNA)
where:
Base-Base interactions energy: -51.329
where: short stacking energy: -47.529
Base-Backbone interact. energy: -0.396
local terms energy: -99.904813
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: 1.141
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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -527.678034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.678034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.678034 (E_RNA)
where:
Base-Base interactions energy: -355.036
where: short stacking energy: -151.578
Base-Backbone interact. energy: -1.540
local terms energy: -171.101791
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -46.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -505.867633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.867633 (E_RNA)
where:
Base-Base interactions energy: -344.408
where: short stacking energy: -145.315
Base-Backbone interact. energy: -0.480
local terms energy: -160.978875
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -46.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -511.224700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.224700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.224700 (E_RNA)
where:
Base-Base interactions energy: -358.428
where: short stacking energy: -153.110
Base-Backbone interact. energy: -0.098
local terms energy: -152.699031
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -44.043
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: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -489.384330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.384330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.384330 (E_RNA)
where:
Base-Base interactions energy: -345.444
where: short stacking energy: -139.368
Base-Backbone interact. energy: 0.206
local terms energy: -144.146660
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -408.294397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.294397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.294397 (E_RNA)
where:
Base-Base interactions energy: -274.223
where: short stacking energy: -118.790
Base-Backbone interact. energy: 0.333
local terms energy: -134.405153
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -23.439
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: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -336.549752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.549752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.549752 (E_RNA)
where:
Base-Base interactions energy: -213.923
where: short stacking energy: -95.050
Base-Backbone interact. energy: -0.217
local terms energy: -122.409355
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -236.416276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.416276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.416276 (E_RNA)
where:
Base-Base interactions energy: -125.589
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.380
local terms energy: -110.447592
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -176.280212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.280212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.280212 (E_RNA)
where:
Base-Base interactions energy: -81.067
where: short stacking energy: -52.090
Base-Backbone interact. energy: 0.377
local terms energy: -95.590583
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -155.051620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.051620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.051620 (E_RNA)
where:
Base-Base interactions energy: -55.362
where: short stacking energy: -50.649
Base-Backbone interact. energy: -0.073
local terms energy: -99.616773
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -135.764925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.764925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.764925 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.143
local terms energy: -89.916884
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -6.293
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -527.622000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.622000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.622000 (E_RNA)
where:
Base-Base interactions energy: -358.583
where: short stacking energy: -148.628
Base-Backbone interact. energy: -0.695
local terms energy: -168.344205
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -46.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -513.048606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.048606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.048606 (E_RNA)
where:
Base-Base interactions energy: -343.291
where: short stacking energy: -152.391
Base-Backbone interact. energy: -1.321
local terms energy: -168.435782
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -49.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -503.494838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.494838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.494838 (E_RNA)
where:
Base-Base interactions energy: -344.527
where: short stacking energy: -136.946
Base-Backbone interact. energy: -0.528
local terms energy: -158.440049
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -31.428
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -42.936
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -515.221734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.221734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.221734 (E_RNA)
where:
Base-Base interactions energy: -357.489
where: short stacking energy: -147.745
Base-Backbone interact. energy: 0.907
local terms energy: -158.639116
where:
bonds (distance) C4'-P energy: -33.769
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -43.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -424.091714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.091714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.091714 (E_RNA)
where:
Base-Base interactions energy: -286.811
where: short stacking energy: -128.090
Base-Backbone interact. energy: -0.527
local terms energy: -136.753304
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -35.400
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: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -339.390229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.390229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.390229 (E_RNA)
where:
Base-Base interactions energy: -213.453
where: short stacking energy: -107.810
Base-Backbone interact. energy: 2.174
local terms energy: -128.111182
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -32.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -256.450327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.450327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.450327 (E_RNA)
where:
Base-Base interactions energy: -132.670
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.378
local terms energy: -123.402904
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -164.434476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.434476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.434476 (E_RNA)
where:
Base-Base interactions energy: -70.138
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.551
local terms energy: -93.745760
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: 5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -132.504877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.504877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.504877 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -33.227
Base-Backbone interact. energy: 0.955
local terms energy: -96.079939
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: 2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -147.813214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.813214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.813214 (E_RNA)
where:
Base-Base interactions energy: -61.624
where: short stacking energy: -41.915
Base-Backbone interact. energy: -0.454
local terms energy: -85.735756
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -9.002
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: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -533.175929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.175929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.175929 (E_RNA)
where:
Base-Base interactions energy: -357.098
where: short stacking energy: -152.073
Base-Backbone interact. energy: -0.357
local terms energy: -175.721245
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -49.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -500.550575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.550575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.550575 (E_RNA)
where:
Base-Base interactions energy: -337.686
where: short stacking energy: -139.053
Base-Backbone interact. energy: -1.142
local terms energy: -161.722240
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -45.154
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: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -505.642203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.642203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.642203 (E_RNA)
where:
Base-Base interactions energy: -358.328
where: short stacking energy: -132.624
Base-Backbone interact. energy: -0.508
local terms energy: -146.806644
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -38.832
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: 79
Temperature: 1.050000
Total energy: -504.328541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.328541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.328541 (E_RNA)
where:
Base-Base interactions energy: -352.451
where: short stacking energy: -155.676
Base-Backbone interact. energy: 1.844
local terms energy: -153.721654
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -46.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -412.557440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.557440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.557440 (E_RNA)
where:
Base-Base interactions energy: -277.204
where: short stacking energy: -120.969
Base-Backbone interact. energy: 0.109
local terms energy: -135.462518
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -28.361
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: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -335.949078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.949078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.949078 (E_RNA)
where:
Base-Base interactions energy: -212.092
where: short stacking energy: -113.823
Base-Backbone interact. energy: -0.583
local terms energy: -123.273632
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -15.637
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: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -237.267889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.267889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.267889 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -66.149
Base-Backbone interact. energy: -1.218
local terms energy: -117.095396
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -176.723309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.723309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.723309 (E_RNA)
where:
Base-Base interactions energy: -64.805
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.457
local terms energy: -111.461494
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -11.581
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: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -147.736334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.736334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.736334 (E_RNA)
where:
Base-Base interactions energy: -53.937
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.529
local terms energy: -93.270914
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -33.944
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: 3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -139.607633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.607633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.607633 (E_RNA)
where:
Base-Base interactions energy: -48.743
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.736
local terms energy: -90.129120
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -537.370086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.370086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.370086 (E_RNA)
where:
Base-Base interactions energy: -369.734
where: short stacking energy: -157.650
Base-Backbone interact. energy: -1.066
local terms energy: -166.570697
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -47.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -489.346763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.346763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.346763 (E_RNA)
where:
Base-Base interactions energy: -334.103
where: short stacking energy: -132.903
Base-Backbone interact. energy: 2.401
local terms energy: -157.644230
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -41.565
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: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -497.289924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.289924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.289924 (E_RNA)
where:
Base-Base interactions energy: -351.457
where: short stacking energy: -134.215
Base-Backbone interact. energy: -0.757
local terms energy: -145.075342
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -41.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -489.861603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.861603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.861603 (E_RNA)
where:
Base-Base interactions energy: -336.574
where: short stacking energy: -136.212
Base-Backbone interact. energy: 0.008
local terms energy: -153.295685
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -40.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -421.187634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.187634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.187634 (E_RNA)
where:
Base-Base interactions energy: -281.316
where: short stacking energy: -114.773
Base-Backbone interact. energy: -0.202
local terms energy: -139.670115
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -38.893
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: 80
Temperature: 1.150000
Total energy: -355.423585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.423585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.423585 (E_RNA)
where:
Base-Base interactions energy: -230.397
where: short stacking energy: -99.522
Base-Backbone interact. energy: 0.905
local terms energy: -125.931234
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -29.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -232.419076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.419076 (E_RNA)
where:
Base-Base interactions energy: -131.623
where: short stacking energy: -50.953
Base-Backbone interact. energy: 2.489
local terms energy: -103.284779
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -148.685565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.685565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.685565 (E_RNA)
where:
Base-Base interactions energy: -64.068
where: short stacking energy: -51.986
Base-Backbone interact. energy: 0.463
local terms energy: -85.080209
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -149.026136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.026136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.026136 (E_RNA)
where:
Base-Base interactions energy: -54.913
where: short stacking energy: -45.711
Base-Backbone interact. energy: 1.072
local terms energy: -95.185276
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -136.443237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.443237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.443237 (E_RNA)
where:
Base-Base interactions energy: -52.660
where: short stacking energy: -37.481
Base-Backbone interact. energy: -1.190
local terms energy: -82.593090
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: 4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -522.799297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.799297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.799297 (E_RNA)
where:
Base-Base interactions energy: -353.280
where: short stacking energy: -159.164
Base-Backbone interact. energy: -0.157
local terms energy: -169.362308
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -45.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -510.394071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.394071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.394071 (E_RNA)
where:
Base-Base interactions energy: -355.524
where: short stacking energy: -146.421
Base-Backbone interact. energy: -0.670
local terms energy: -154.199790
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -42.593
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: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -494.685490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.685490 (E_RNA)
where:
Base-Base interactions energy: -340.987
where: short stacking energy: -140.749
Base-Backbone interact. energy: -0.958
local terms energy: -152.740873
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -42.561
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -500.589952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.589952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.589952 (E_RNA)
where:
Base-Base interactions energy: -348.789
where: short stacking energy: -146.097
Base-Backbone interact. energy: -0.843
local terms energy: -150.958665
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -40.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -419.684115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.684115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.684115 (E_RNA)
where:
Base-Base interactions energy: -278.989
where: short stacking energy: -119.740
Base-Backbone interact. energy: -0.673
local terms energy: -140.022144
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -370.750219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.750219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.750219 (E_RNA)
where:
Base-Base interactions energy: -244.127
where: short stacking energy: -120.173
Base-Backbone interact. energy: -0.669
local terms energy: -125.954098
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -29.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -254.918932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.918932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.918932 (E_RNA)
where:
Base-Base interactions energy: -137.434
where: short stacking energy: -67.518
Base-Backbone interact. energy: 1.182
local terms energy: -118.667228
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -154.515368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.515368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.515368 (E_RNA)
where:
Base-Base interactions energy: -57.682
where: short stacking energy: -43.792
Base-Backbone interact. energy: 0.398
local terms energy: -97.231695
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -17.206
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: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -145.194437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.194437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.194437 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.748
local terms energy: -96.291125
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: 6.360
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: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -140.247606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.247606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.247606 (E_RNA)
where:
Base-Base interactions energy: -53.353
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.716
local terms energy: -86.178995
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -26.410
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: 3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -529.970010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.970010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.970010 (E_RNA)
where:
Base-Base interactions energy: -361.565
where: short stacking energy: -144.909
Base-Backbone interact. energy: -0.956
local terms energy: -167.449200
where:
bonds (distance) C4'-P energy: -33.730
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -35.124
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -42.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -502.344845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.344845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.344845 (E_RNA)
where:
Base-Base interactions energy: -358.107
where: short stacking energy: -142.886
Base-Backbone interact. energy: -0.517
local terms energy: -143.720690
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -37.872
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: 82
Temperature: 1.000000
Total energy: -492.561803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.561803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.561803 (E_RNA)
where:
Base-Base interactions energy: -335.213
where: short stacking energy: -144.931
Base-Backbone interact. energy: -0.975
local terms energy: -156.374508
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -42.764
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: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -470.937008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.937008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.937008 (E_RNA)
where:
Base-Base interactions energy: -329.316
where: short stacking energy: -143.953
Base-Backbone interact. energy: -0.135
local terms energy: -141.485913
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -41.561
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: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -414.208723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.208723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.208723 (E_RNA)
where:
Base-Base interactions energy: -277.705
where: short stacking energy: -128.994
Base-Backbone interact. energy: -0.277
local terms energy: -136.226966
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -361.032088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.032088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.032088 (E_RNA)
where:
Base-Base interactions energy: -226.024
where: short stacking energy: -92.159
Base-Backbone interact. energy: -0.185
local terms energy: -134.823381
where:
bonds (distance) C4'-P energy: -28.418
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -32.013
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: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -240.700718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.700718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.700718 (E_RNA)
where:
Base-Base interactions energy: -143.160
where: short stacking energy: -83.915
Base-Backbone interact. energy: -0.358
local terms energy: -97.182208
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -31.472
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -148.046299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.046299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.046299 (E_RNA)
where:
Base-Base interactions energy: -51.035
where: short stacking energy: -48.499
Base-Backbone interact. energy: -1.928
local terms energy: -95.083183
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -178.056428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.056428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.056428 (E_RNA)
where:
Base-Base interactions energy: -76.411
where: short stacking energy: -49.104
Base-Backbone interact. energy: -0.571
local terms energy: -101.075169
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -10.421
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: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -158.075202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.075202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.075202 (E_RNA)
where:
Base-Base interactions energy: -67.869
where: short stacking energy: -43.925
Base-Backbone interact. energy: -0.428
local terms energy: -89.778420
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -528.845354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.845354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.845354 (E_RNA)
where:
Base-Base interactions energy: -357.581
where: short stacking energy: -152.411
Base-Backbone interact. energy: -0.029
local terms energy: -171.235746
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -46.095
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -517.844275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.844275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.844275 (E_RNA)
where:
Base-Base interactions energy: -357.309
where: short stacking energy: -147.340
Base-Backbone interact. energy: -0.135
local terms energy: -160.399816
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -39.117
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: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -491.572722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.572722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.572722 (E_RNA)
where:
Base-Base interactions energy: -341.548
where: short stacking energy: -131.335
Base-Backbone interact. energy: -0.320
local terms energy: -149.704832
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -37.153
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -440.727283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.727283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.727283 (E_RNA)
where:
Base-Base interactions energy: -304.131
where: short stacking energy: -130.525
Base-Backbone interact. energy: -0.067
local terms energy: -136.528682
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -33.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -461.291952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.291952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.291952 (E_RNA)
where:
Base-Base interactions energy: -316.684
where: short stacking energy: -125.116
Base-Backbone interact. energy: -1.128
local terms energy: -143.480123
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -38.441
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: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -383.138769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.138769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.138769 (E_RNA)
where:
Base-Base interactions energy: -240.245
where: short stacking energy: -114.108
Base-Backbone interact. energy: -1.319
local terms energy: -141.575137
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -30.641
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: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -257.046562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.046562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.046562 (E_RNA)
where:
Base-Base interactions energy: -136.947
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.274
local terms energy: -119.825452
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -157.200358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.200358 (E_RNA)
where:
Base-Base interactions energy: -56.987
where: short stacking energy: -52.851
Base-Backbone interact. energy: 2.403
local terms energy: -102.616209
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -144.859450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.859450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.859450 (E_RNA)
where:
Base-Base interactions energy: -53.135
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.217
local terms energy: -91.507024
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -28.786
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -1.547
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: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -138.072570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.072570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.072570 (E_RNA)
where:
Base-Base interactions energy: -45.692
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.858
local terms energy: -91.522158
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -13.670
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: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -521.465066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.465066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.465066 (E_RNA)
where:
Base-Base interactions energy: -337.715
where: short stacking energy: -145.576
Base-Backbone interact. energy: -3.081
local terms energy: -180.668547
where:
bonds (distance) C4'-P energy: -37.589
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -48.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -523.781956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.781956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.781956 (E_RNA)
where:
Base-Base interactions energy: -362.082
where: short stacking energy: -153.491
Base-Backbone interact. energy: -0.007
local terms energy: -161.693140
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -507.540859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.540859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.540859 (E_RNA)
where:
Base-Base interactions energy: -364.533
where: short stacking energy: -146.212
Base-Backbone interact. energy: -0.675
local terms energy: -142.332736
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -41.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -443.558677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.558677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.558677 (E_RNA)
where:
Base-Base interactions energy: -302.602
where: short stacking energy: -132.942
Base-Backbone interact. energy: -1.553
local terms energy: -139.404194
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -36.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -430.905343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.905343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.905343 (E_RNA)
where:
Base-Base interactions energy: -293.106
where: short stacking energy: -116.599
Base-Backbone interact. energy: 1.792
local terms energy: -139.591798
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -37.905
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -350.010235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.010235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.010235 (E_RNA)
where:
Base-Base interactions energy: -221.181
where: short stacking energy: -106.093
Base-Backbone interact. energy: -0.224
local terms energy: -128.604731
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -17.172
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: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -253.658663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.658663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.658663 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -82.337
Base-Backbone interact. energy: -1.468
local terms energy: -111.933147
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -8.803
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: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -241.562496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.562496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.562496 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.229
local terms energy: -97.070785
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -154.844447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.844447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.844447 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.474
local terms energy: -104.035573
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -140.938530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.938530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.938530 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.079
local terms energy: -96.649399
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: 4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -530.729748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.729748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.729748 (E_RNA)
where:
Base-Base interactions energy: -362.625
where: short stacking energy: -146.764
Base-Backbone interact. energy: -0.472
local terms energy: -167.633389
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -44.898
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -505.182767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.182767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.182767 (E_RNA)
where:
Base-Base interactions energy: -357.241
where: short stacking energy: -132.543
Base-Backbone interact. energy: -0.065
local terms energy: -147.877511
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -39.000
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -507.927498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.927498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.927498 (E_RNA)
where:
Base-Base interactions energy: -350.747
where: short stacking energy: -148.586
Base-Backbone interact. energy: 1.253
local terms energy: -158.433555
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -446.625652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.625652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.625652 (E_RNA)
where:
Base-Base interactions energy: -306.507
where: short stacking energy: -139.484
Base-Backbone interact. energy: -0.525
local terms energy: -139.594406
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -42.037
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: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -422.198716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.198716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.198716 (E_RNA)
where:
Base-Base interactions energy: -277.960
where: short stacking energy: -133.749
Base-Backbone interact. energy: -1.891
local terms energy: -142.347490
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -32.463
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -36.809
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: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -361.230317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.230317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.230317 (E_RNA)
where:
Base-Base interactions energy: -222.337
where: short stacking energy: -122.762
Base-Backbone interact. energy: -0.154
local terms energy: -138.739089
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -30.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -260.577055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.577055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.577055 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.018
local terms energy: -114.940317
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -29.862
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -250.831832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.831832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.831832 (E_RNA)
where:
Base-Base interactions energy: -138.998
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.519
local terms energy: -111.314037
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -188.539015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539015 (E_RNA)
where:
Base-Base interactions energy: -104.950
where: short stacking energy: -57.742
Base-Backbone interact. energy: -1.313
local terms energy: -82.276199
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -134.210741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.210741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.210741 (E_RNA)
where:
Base-Base interactions energy: -58.448
where: short stacking energy: -33.588
Base-Backbone interact. energy: -1.140
local terms energy: -74.623407
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -530.095810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.095810 (E_RNA)
where:
Base-Base interactions energy: -362.626
where: short stacking energy: -151.121
Base-Backbone interact. energy: -0.237
local terms energy: -167.232385
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -44.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -515.240712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.240712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.240712 (E_RNA)
where:
Base-Base interactions energy: -380.764
where: short stacking energy: -149.659
Base-Backbone interact. energy: -0.382
local terms energy: -134.094288
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -516.463377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.463377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.463377 (E_RNA)
where:
Base-Base interactions energy: -348.738
where: short stacking energy: -150.600
Base-Backbone interact. energy: -0.041
local terms energy: -167.684010
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -448.707496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.707496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.707496 (E_RNA)
where:
Base-Base interactions energy: -297.172
where: short stacking energy: -127.814
Base-Backbone interact. energy: 1.382
local terms energy: -152.917018
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -34.108
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -36.482
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: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -356.787105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.787105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.787105 (E_RNA)
where:
Base-Base interactions energy: -213.992
where: short stacking energy: -112.099
Base-Backbone interact. energy: 0.129
local terms energy: -142.924053
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -20.021
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: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -409.076609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.076609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.076609 (E_RNA)
where:
Base-Base interactions energy: -273.493
where: short stacking energy: -123.011
Base-Backbone interact. energy: -0.087
local terms energy: -135.496751
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -32.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -268.975945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.975945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.975945 (E_RNA)
where:
Base-Base interactions energy: -157.494
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.066
local terms energy: -111.416591
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -31.935
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -276.639021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639021 (E_RNA)
where:
Base-Base interactions energy: -164.829
where: short stacking energy: -72.053
Base-Backbone interact. energy: -2.044
local terms energy: -109.765273
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -19.363
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -194.313340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.313340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.313340 (E_RNA)
where:
Base-Base interactions energy: -104.905
where: short stacking energy: -67.918
Base-Backbone interact. energy: 1.525
local terms energy: -90.932933
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -141.732382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.732382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.732382 (E_RNA)
where:
Base-Base interactions energy: -53.584
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.790
local terms energy: -87.358001
where:
bonds (distance) C4'-P energy: -24.890
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -5.472
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: 87
Temperature: 0.900000
Total energy: -523.064752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.064752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.064752 (E_RNA)
where:
Base-Base interactions energy: -359.195
where: short stacking energy: -152.340
Base-Backbone interact. energy: -0.086
local terms energy: -163.783882
where:
bonds (distance) C4'-P energy: -26.876
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -45.955
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: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -518.522777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.522777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.522777 (E_RNA)
where:
Base-Base interactions energy: -349.936
where: short stacking energy: -142.997
Base-Backbone interact. energy: -1.048
local terms energy: -167.538618
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -36.249
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -48.005
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -504.022793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.022793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.022793 (E_RNA)
where:
Base-Base interactions energy: -365.952
where: short stacking energy: -140.288
Base-Backbone interact. energy: 0.266
local terms energy: -138.336665
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -38.850
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: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -390.540665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.540665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.540665 (E_RNA)
where:
Base-Base interactions energy: -243.788
where: short stacking energy: -123.356
Base-Backbone interact. energy: 1.723
local terms energy: -148.476074
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -36.148
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -26.727
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: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -445.140654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.140654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.140654 (E_RNA)
where:
Base-Base interactions energy: -289.925
where: short stacking energy: -133.696
Base-Backbone interact. energy: -0.193
local terms energy: -155.022903
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -30.172
flat angles C4'-P-C4' energy: -35.010
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -40.643
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: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -410.501354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.501354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.501354 (E_RNA)
where:
Base-Base interactions energy: -279.172
where: short stacking energy: -114.921
Base-Backbone interact. energy: -0.989
local terms energy: -130.340725
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -32.609
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -33.451
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: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -260.964214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.964214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.964214 (E_RNA)
where:
Base-Base interactions energy: -148.181
where: short stacking energy: -74.167
Base-Backbone interact. energy: 1.761
local terms energy: -114.544614
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -34.771
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -9.459
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: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -291.593066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.593066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.593066 (E_RNA)
where:
Base-Base interactions energy: -180.836
where: short stacking energy: -78.064
Base-Backbone interact. energy: -1.073
local terms energy: -109.683512
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -201.194357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.194357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.194357 (E_RNA)
where:
Base-Base interactions energy: -109.202
where: short stacking energy: -77.830
Base-Backbone interact. energy: 1.782
local terms energy: -93.774660
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -132.553127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.553127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.553127 (E_RNA)
where:
Base-Base interactions energy: -41.929
where: short stacking energy: -34.458
Base-Backbone interact. energy: 0.733
local terms energy: -91.357329
where:
bonds (distance) C4'-P energy: -36.633
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: 5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -516.963049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.963049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.963049 (E_RNA)
where:
Base-Base interactions energy: -358.901
where: short stacking energy: -143.136
Base-Backbone interact. energy: -0.991
local terms energy: -157.071098
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -517.408626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.408626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.408626 (E_RNA)
where:
Base-Base interactions energy: -344.858
where: short stacking energy: -149.388
Base-Backbone interact. energy: -0.157
local terms energy: -172.393466
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -38.234
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -48.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -498.248877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.248877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.248877 (E_RNA)
where:
Base-Base interactions energy: -350.847
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.455
local terms energy: -146.946843
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -43.776
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: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -388.573607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.573607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.573607 (E_RNA)
where:
Base-Base interactions energy: -241.639
where: short stacking energy: -121.189
Base-Backbone interact. energy: 0.466
local terms energy: -147.400952
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -37.496
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: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -438.134202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.134202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.134202 (E_RNA)
where:
Base-Base interactions energy: -284.997
where: short stacking energy: -119.241
Base-Backbone interact. energy: 0.013
local terms energy: -153.149802
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -40.577
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: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -399.865368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.865368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.865368 (E_RNA)
where:
Base-Base interactions energy: -268.406
where: short stacking energy: -114.048
Base-Backbone interact. energy: 0.228
local terms energy: -131.687482
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -32.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -244.903615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.903615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.903615 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -74.223
Base-Backbone interact. energy: -1.049
local terms energy: -119.764583
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -251.253431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.253431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.253431 (E_RNA)
where:
Base-Base interactions energy: -137.084
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.821
local terms energy: -113.348196
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -25.092
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -153.707036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.707036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.707036 (E_RNA)
where:
Base-Base interactions energy: -59.595
where: short stacking energy: -54.853
Base-Backbone interact. energy: -0.801
local terms energy: -93.311729
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -11.395
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: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -174.162226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162226 (E_RNA)
where:
Base-Base interactions energy: -74.148
where: short stacking energy: -37.665
Base-Backbone interact. energy: 0.131
local terms energy: -100.145117
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: 4.248
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: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -527.208902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.208902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.208902 (E_RNA)
where:
Base-Base interactions energy: -369.500
where: short stacking energy: -147.213
Base-Backbone interact. energy: -0.319
local terms energy: -157.389466
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -47.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -531.642419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.642419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.642419 (E_RNA)
where:
Base-Base interactions energy: -360.018
where: short stacking energy: -153.761
Base-Backbone interact. energy: -0.169
local terms energy: -171.455120
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -27.249
tors. eta vs tors. theta energy: -48.634
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: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -494.806406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.806406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.806406 (E_RNA)
where:
Base-Base interactions energy: -353.229
where: short stacking energy: -142.085
Base-Backbone interact. energy: 0.608
local terms energy: -142.185676
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -40.070
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: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -461.248144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.248144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.248144 (E_RNA)
where:
Base-Base interactions energy: -316.520
where: short stacking energy: -126.144
Base-Backbone interact. energy: -0.135
local terms energy: -144.592652
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -37.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -361.815627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.815627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.815627 (E_RNA)
where:
Base-Base interactions energy: -220.764
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.313
local terms energy: -140.738673
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -406.593368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.593368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.593368 (E_RNA)
where:
Base-Base interactions energy: -267.974
where: short stacking energy: -119.585
Base-Backbone interact. energy: -0.039
local terms energy: -138.580034
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -19.612
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: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -269.464827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.464827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.464827 (E_RNA)
where:
Base-Base interactions energy: -139.744
where: short stacking energy: -79.288
Base-Backbone interact. energy: 0.450
local terms energy: -130.170386
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -166.827296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.827296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.827296 (E_RNA)
where:
Base-Base interactions energy: -68.304
where: short stacking energy: -54.358
Base-Backbone interact. energy: 0.894
local terms energy: -99.417403
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -148.876617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.876617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.876617 (E_RNA)
where:
Base-Base interactions energy: -54.079
where: short stacking energy: -47.990
Base-Backbone interact. energy: 1.245
local terms energy: -96.042050
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -141.443767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.443767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.443767 (E_RNA)
where:
Base-Base interactions energy: -65.223
where: short stacking energy: -46.470
Base-Backbone interact. energy: 0.366
local terms energy: -76.586417
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -18.880
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -527.008402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.008402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.008402 (E_RNA)
where:
Base-Base interactions energy: -361.139
where: short stacking energy: -146.165
Base-Backbone interact. energy: 0.488
local terms energy: -166.358057
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -49.410
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: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -522.502830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.502830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.502830 (E_RNA)
where:
Base-Base interactions energy: -361.178
where: short stacking energy: -149.742
Base-Backbone interact. energy: -1.542
local terms energy: -159.782197
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -37.209
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -46.367
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: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -490.017569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.017569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.017569 (E_RNA)
where:
Base-Base interactions energy: -336.112
where: short stacking energy: -131.254
Base-Backbone interact. energy: -1.385
local terms energy: -152.520786
where:
bonds (distance) C4'-P energy: -29.604
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -38.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -454.092020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.092020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.092020 (E_RNA)
where:
Base-Base interactions energy: -316.366
where: short stacking energy: -124.028
Base-Backbone interact. energy: -0.274
local terms energy: -137.452496
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -28.118
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -28.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -407.714146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.714146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.714146 (E_RNA)
where:
Base-Base interactions energy: -263.843
where: short stacking energy: -116.384
Base-Backbone interact. energy: 3.039
local terms energy: -146.909388
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -353.351457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.351457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.351457 (E_RNA)
where:
Base-Base interactions energy: -212.158
where: short stacking energy: -104.422
Base-Backbone interact. energy: -1.103
local terms energy: -140.089742
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -34.967
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: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -258.774032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.774032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.774032 (E_RNA)
where:
Base-Base interactions energy: -147.047
where: short stacking energy: -88.573
Base-Backbone interact. energy: -0.817
local terms energy: -110.910151
where:
bonds (distance) C4'-P energy: -28.048
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -170.923375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.923375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.923375 (E_RNA)
where:
Base-Base interactions energy: -57.688
where: short stacking energy: -53.038
Base-Backbone interact. energy: -1.065
local terms energy: -112.170349
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -27.078
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -166.730557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.730557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.730557 (E_RNA)
where:
Base-Base interactions energy: -64.854
where: short stacking energy: -35.911
Base-Backbone interact. energy: -1.989
local terms energy: -99.887161
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: 2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -134.453564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.453564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.453564 (E_RNA)
where:
Base-Base interactions energy: -52.372
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.510
local terms energy: -81.571503
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -10.399
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: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -538.627740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.627740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.627740 (E_RNA)
where:
Base-Base interactions energy: -358.712
where: short stacking energy: -143.381
Base-Backbone interact. energy: -0.769
local terms energy: -179.146457
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -32.817
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -48.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -521.629257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.629257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.629257 (E_RNA)
where:
Base-Base interactions energy: -363.361
where: short stacking energy: -145.978
Base-Backbone interact. energy: -0.752
local terms energy: -157.515839
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -42.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -493.664032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.664032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.664032 (E_RNA)
where:
Base-Base interactions energy: -334.204
where: short stacking energy: -142.351
Base-Backbone interact. energy: -0.243
local terms energy: -159.217047
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -37.184
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -470.714454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.714454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.714454 (E_RNA)
where:
Base-Base interactions energy: -317.204
where: short stacking energy: -141.699
Base-Backbone interact. energy: -0.207
local terms energy: -153.303250
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -437.068116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.068116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.068116 (E_RNA)
where:
Base-Base interactions energy: -291.243
where: short stacking energy: -132.273
Base-Backbone interact. energy: -1.172
local terms energy: -144.653370
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -22.151
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: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -364.408137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.408137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.408137 (E_RNA)
where:
Base-Base interactions energy: -240.051
where: short stacking energy: -112.840
Base-Backbone interact. energy: -0.822
local terms energy: -123.535054
where:
bonds (distance) C4'-P energy: -27.208
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -33.365
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: 91
Temperature: 1.200000
Total energy: -260.798787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.798787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.798787 (E_RNA)
where:
Base-Base interactions energy: -141.955
where: short stacking energy: -72.722
Base-Backbone interact. energy: 0.052
local terms energy: -118.895535
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -169.596752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.596752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.596752 (E_RNA)
where:
Base-Base interactions energy: -58.763
where: short stacking energy: -40.720
Base-Backbone interact. energy: 1.789
local terms energy: -112.622416
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -30.490
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -159.210207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.210207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.210207 (E_RNA)
where:
Base-Base interactions energy: -79.081
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.442
local terms energy: -79.687599
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.503
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: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -176.907992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.907992 (E_RNA)
where:
Base-Base interactions energy: -75.737
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.388
local terms energy: -100.782770
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -532.195768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.195768 (E_RNA)
where:
Base-Base interactions energy: -359.537
where: short stacking energy: -158.216
Base-Backbone interact. energy: 0.146
local terms energy: -172.805369
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -523.320023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.320023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.320023 (E_RNA)
where:
Base-Base interactions energy: -363.211
where: short stacking energy: -151.494
Base-Backbone interact. energy: -0.061
local terms energy: -160.047919
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -48.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -499.079693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.079693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.079693 (E_RNA)
where:
Base-Base interactions energy: -357.016
where: short stacking energy: -134.968
Base-Backbone interact. energy: -1.118
local terms energy: -140.945731
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -22.581
tors. eta vs tors. theta energy: -40.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -468.793910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.793910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.793910 (E_RNA)
where:
Base-Base interactions energy: -321.215
where: short stacking energy: -135.912
Base-Backbone interact. energy: -0.112
local terms energy: -147.467011
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -418.864653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.864653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.864653 (E_RNA)
where:
Base-Base interactions energy: -287.205
where: short stacking energy: -126.614
Base-Backbone interact. energy: -0.409
local terms energy: -131.250639
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -32.759
flat angles P-C4'-P energy: -14.516
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: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -386.441931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.441931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.441931 (E_RNA)
where:
Base-Base interactions energy: -240.414
where: short stacking energy: -128.904
Base-Backbone interact. energy: -0.692
local terms energy: -145.335607
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -38.151
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: 92
Temperature: 1.200000
Total energy: -272.362225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.362225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.362225 (E_RNA)
where:
Base-Base interactions energy: -159.747
where: short stacking energy: -98.617
Base-Backbone interact. energy: -0.638
local terms energy: -111.977336
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -165.131022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.131022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.131022 (E_RNA)
where:
Base-Base interactions energy: -61.231
where: short stacking energy: -49.287
Base-Backbone interact. energy: -0.279
local terms energy: -103.621432
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -133.498918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.498918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.498918 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.335
local terms energy: -90.610721
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -20.780
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -141.370363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.370363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.370363 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -41.060
Base-Backbone interact. energy: -1.286
local terms energy: -87.892452
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -528.805701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.805701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.805701 (E_RNA)
where:
Base-Base interactions energy: -354.219
where: short stacking energy: -150.116
Base-Backbone interact. energy: -0.484
local terms energy: -174.102838
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -38.055
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -50.524
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: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -523.059022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.059022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.059022 (E_RNA)
where:
Base-Base interactions energy: -364.316
where: short stacking energy: -158.452
Base-Backbone interact. energy: -2.078
local terms energy: -156.665599
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -48.578
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -506.574128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.574128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.574128 (E_RNA)
where:
Base-Base interactions energy: -355.918
where: short stacking energy: -135.217
Base-Backbone interact. energy: -0.516
local terms energy: -150.139293
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -31.892
flat angles C4'-P-C4' energy: -36.913
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -37.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -457.622180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.622180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.622180 (E_RNA)
where:
Base-Base interactions energy: -305.172
where: short stacking energy: -134.827
Base-Backbone interact. energy: -0.826
local terms energy: -151.624329
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -47.550
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: 93
Temperature: 1.100000
Total energy: -408.546296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.546296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.546296 (E_RNA)
where:
Base-Base interactions energy: -257.771
where: short stacking energy: -125.456
Base-Backbone interact. energy: -0.451
local terms energy: -150.323885
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -25.386
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: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -385.234165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.234165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.234165 (E_RNA)
where:
Base-Base interactions energy: -255.517
where: short stacking energy: -111.777
Base-Backbone interact. energy: -0.911
local terms energy: -128.806202
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -35.270
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: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -286.566909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.566909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.566909 (E_RNA)
where:
Base-Base interactions energy: -159.892
where: short stacking energy: -96.617
Base-Backbone interact. energy: -0.211
local terms energy: -126.463896
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -19.396
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: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -198.754595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754595 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.448
local terms energy: -110.883984
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -15.155
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: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -167.399264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.399264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.399264 (E_RNA)
where:
Base-Base interactions energy: -75.301
where: short stacking energy: -48.827
Base-Backbone interact. energy: 0.079
local terms energy: -92.176703
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -138.229714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.229714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.229714 (E_RNA)
where:
Base-Base interactions energy: -49.573
where: short stacking energy: -26.376
Base-Backbone interact. energy: 0.458
local terms energy: -89.115118
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -542.054888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.054888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.054888 (E_RNA)
where:
Base-Base interactions energy: -381.769
where: short stacking energy: -144.194
Base-Backbone interact. energy: -0.172
local terms energy: -160.114382
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -38.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -520.785599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.785599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.785599 (E_RNA)
where:
Base-Base interactions energy: -361.317
where: short stacking energy: -155.890
Base-Backbone interact. energy: -0.063
local terms energy: -159.405250
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -44.545
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -507.817064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.817064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.817064 (E_RNA)
where:
Base-Base interactions energy: -354.150
where: short stacking energy: -135.354
Base-Backbone interact. energy: -0.771
local terms energy: -152.895841
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -41.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -473.503102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.503102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.503102 (E_RNA)
where:
Base-Base interactions energy: -327.944
where: short stacking energy: -140.630
Base-Backbone interact. energy: -1.578
local terms energy: -143.981065
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -421.964989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.964989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.964989 (E_RNA)
where:
Base-Base interactions energy: -260.776
where: short stacking energy: -131.147
Base-Backbone interact. energy: -1.983
local terms energy: -159.205226
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -406.923255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.923255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.923255 (E_RNA)
where:
Base-Base interactions energy: -252.904
where: short stacking energy: -117.907
Base-Backbone interact. energy: -0.175
local terms energy: -153.844870
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: -39.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -239.256228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.256228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.256228 (E_RNA)
where:
Base-Base interactions energy: -130.065
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.270
local terms energy: -108.920555
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -174.190143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.190143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.190143 (E_RNA)
where:
Base-Base interactions energy: -79.869
where: short stacking energy: -40.182
Base-Backbone interact. energy: -1.079
local terms energy: -93.242590
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -14.275
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -143.677841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.677841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.677841 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.278
local terms energy: -97.563725
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -146.330707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.330707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.330707 (E_RNA)
where:
Base-Base interactions energy: -57.365
where: short stacking energy: -50.278
Base-Backbone interact. energy: -0.392
local terms energy: -88.574062
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: 0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -530.994110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.994110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.994110 (E_RNA)
where:
Base-Base interactions energy: -366.468
where: short stacking energy: -141.838
Base-Backbone interact. energy: -0.213
local terms energy: -164.313144
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -39.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -511.971009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.971009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.971009 (E_RNA)
where:
Base-Base interactions energy: -341.395
where: short stacking energy: -140.735
Base-Backbone interact. energy: -0.380
local terms energy: -170.196704
where:
bonds (distance) C4'-P energy: -31.621
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -46.701
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: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -492.303794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.303794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.303794 (E_RNA)
where:
Base-Base interactions energy: -336.067
where: short stacking energy: -137.303
Base-Backbone interact. energy: -1.385
local terms energy: -154.852032
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -38.399
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -446.093289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.093289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.093289 (E_RNA)
where:
Base-Base interactions energy: -299.684
where: short stacking energy: -134.431
Base-Backbone interact. energy: -0.566
local terms energy: -145.842811
where:
bonds (distance) C4'-P energy: -28.044
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -21.821
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: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -403.207396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.207396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.207396 (E_RNA)
where:
Base-Base interactions energy: -261.113
where: short stacking energy: -124.225
Base-Backbone interact. energy: -0.511
local terms energy: -141.583397
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -19.930
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -397.447869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.447869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.447869 (E_RNA)
where:
Base-Base interactions energy: -252.913
where: short stacking energy: -106.780
Base-Backbone interact. energy: -0.807
local terms energy: -143.728267
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -253.749387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.749387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.749387 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -80.607
Base-Backbone interact. energy: -0.191
local terms energy: -109.073824
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -162.417615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.417615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.417615 (E_RNA)
where:
Base-Base interactions energy: -70.878
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.162
local terms energy: -91.377747
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -168.028551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.028551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.028551 (E_RNA)
where:
Base-Base interactions energy: -81.421
where: short stacking energy: -46.408
Base-Backbone interact. energy: 1.109
local terms energy: -87.716049
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -143.029839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.029839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.029839 (E_RNA)
where:
Base-Base interactions energy: -56.133
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.913
local terms energy: -85.983968
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -4.724
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: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -536.765967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.765967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.765967 (E_RNA)
where:
Base-Base interactions energy: -368.296
where: short stacking energy: -146.832
Base-Backbone interact. energy: -0.079
local terms energy: -168.391496
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -44.337
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -518.290640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.290640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.290640 (E_RNA)
where:
Base-Base interactions energy: -357.239
where: short stacking energy: -139.067
Base-Backbone interact. energy: -0.182
local terms energy: -160.868844
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -42.042
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -487.504406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.504406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.504406 (E_RNA)
where:
Base-Base interactions energy: -334.692
where: short stacking energy: -129.765
Base-Backbone interact. energy: -0.754
local terms energy: -152.058672
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -29.580
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -37.679
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -462.110203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.110203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.110203 (E_RNA)
where:
Base-Base interactions energy: -313.377
where: short stacking energy: -115.702
Base-Backbone interact. energy: -1.332
local terms energy: -147.400891
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -30.176
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -19.568
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: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -411.870180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.870180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.870180 (E_RNA)
where:
Base-Base interactions energy: -270.299
where: short stacking energy: -114.796
Base-Backbone interact. energy: -1.391
local terms energy: -140.180032
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -22.803
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: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -425.395635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.395635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.395635 (E_RNA)
where:
Base-Base interactions energy: -276.943
where: short stacking energy: -128.394
Base-Backbone interact. energy: -0.303
local terms energy: -148.150246
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -30.108
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -43.363
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: 96
Temperature: 1.200000
Total energy: -247.957547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.957547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.957547 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -75.452
Base-Backbone interact. energy: -0.482
local terms energy: -110.493128
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -169.740721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.740721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.740721 (E_RNA)
where:
Base-Base interactions energy: -77.223
where: short stacking energy: -58.308
Base-Backbone interact. energy: -1.073
local terms energy: -91.444660
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -150.015461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.015461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.015461 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -38.023
Base-Backbone interact. energy: -1.658
local terms energy: -94.865116
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: 9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -145.914760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.914760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.914760 (E_RNA)
where:
Base-Base interactions energy: -49.110
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.498
local terms energy: -96.307122
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -540.706022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.706022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.706022 (E_RNA)
where:
Base-Base interactions energy: -374.377
where: short stacking energy: -154.990
Base-Backbone interact. energy: -0.972
local terms energy: -165.356454
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -519.320251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.320251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.320251 (E_RNA)
where:
Base-Base interactions energy: -346.914
where: short stacking energy: -143.836
Base-Backbone interact. energy: -0.662
local terms energy: -171.744110
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -38.893
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -44.711
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: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -490.029734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.029734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.029734 (E_RNA)
where:
Base-Base interactions energy: -337.479
where: short stacking energy: -128.733
Base-Backbone interact. energy: -1.030
local terms energy: -151.520893
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -44.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -453.793036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.793036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.793036 (E_RNA)
where:
Base-Base interactions energy: -312.225
where: short stacking energy: -132.071
Base-Backbone interact. energy: -0.518
local terms energy: -141.050105
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: -40.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -414.496091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.496091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.496091 (E_RNA)
where:
Base-Base interactions energy: -276.793
where: short stacking energy: -106.734
Base-Backbone interact. energy: -1.055
local terms energy: -136.648527
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -31.970
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: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -417.371347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.371347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.371347 (E_RNA)
where:
Base-Base interactions energy: -276.309
where: short stacking energy: -129.414
Base-Backbone interact. energy: -0.444
local terms energy: -140.617595
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -44.457
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -261.396177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.396177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.396177 (E_RNA)
where:
Base-Base interactions energy: -130.211
where: short stacking energy: -82.253
Base-Backbone interact. energy: 0.385
local terms energy: -131.570328
where:
bonds (distance) C4'-P energy: -36.380
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -143.555586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.555586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.555586 (E_RNA)
where:
Base-Base interactions energy: -59.606
where: short stacking energy: -50.337
Base-Backbone interact. energy: 4.540
local terms energy: -88.489736
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -0.996
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -144.115362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.115362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.115362 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -40.047
Base-Backbone interact. energy: -0.664
local terms energy: -97.461427
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -17.912
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: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -143.927226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.927226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.927226 (E_RNA)
where:
Base-Base interactions energy: -57.128
where: short stacking energy: -56.118
Base-Backbone interact. energy: 1.017
local terms energy: -87.815657
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -538.435205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.435205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.435205 (E_RNA)
where:
Base-Base interactions energy: -371.457
where: short stacking energy: -153.104
Base-Backbone interact. energy: 1.000
local terms energy: -167.977637
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -48.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -530.920831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.920831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.920831 (E_RNA)
where:
Base-Base interactions energy: -376.337
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.125
local terms energy: -154.458817
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -44.988
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: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -496.876069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.876069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.876069 (E_RNA)
where:
Base-Base interactions energy: -329.552
where: short stacking energy: -137.195
Base-Backbone interact. energy: -1.061
local terms energy: -166.263261
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -454.849498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.849498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.849498 (E_RNA)
where:
Base-Base interactions energy: -308.863
where: short stacking energy: -138.973
Base-Backbone interact. energy: -0.489
local terms energy: -145.497814
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -44.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -422.784755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.784755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.784755 (E_RNA)
where:
Base-Base interactions energy: -295.299
where: short stacking energy: -127.525
Base-Backbone interact. energy: -1.620
local terms energy: -125.865929
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -31.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -397.646041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.646041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.646041 (E_RNA)
where:
Base-Base interactions energy: -258.630
where: short stacking energy: -118.996
Base-Backbone interact. energy: -1.419
local terms energy: -137.597513
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -269.149803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.149803 (E_RNA)
where:
Base-Base interactions energy: -170.035
where: short stacking energy: -96.906
Base-Backbone interact. energy: -1.183
local terms energy: -97.932297
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -156.433580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.433580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.433580 (E_RNA)
where:
Base-Base interactions energy: -66.416
where: short stacking energy: -54.808
Base-Backbone interact. energy: 0.168
local terms energy: -90.185329
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -144.793533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.793533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.793533 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -45.890
Base-Backbone interact. energy: -0.277
local terms energy: -96.392736
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -155.020173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.020173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.020173 (E_RNA)
where:
Base-Base interactions energy: -59.705
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.210
local terms energy: -95.104863
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -534.779169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.779169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.779169 (E_RNA)
where:
Base-Base interactions energy: -363.192
where: short stacking energy: -158.843
Base-Backbone interact. energy: -0.035
local terms energy: -171.552252
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -527.354620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.354620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.354620 (E_RNA)
where:
Base-Base interactions energy: -368.140
where: short stacking energy: -146.272
Base-Backbone interact. energy: -0.943
local terms energy: -158.271073
where:
bonds (distance) C4'-P energy: -34.089
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -39.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -500.696162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.696162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.696162 (E_RNA)
where:
Base-Base interactions energy: -340.777
where: short stacking energy: -145.616
Base-Backbone interact. energy: -0.186
local terms energy: -159.733203
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -46.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -474.930740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.930740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.930740 (E_RNA)
where:
Base-Base interactions energy: -318.901
where: short stacking energy: -130.269
Base-Backbone interact. energy: -0.595
local terms energy: -155.434547
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -40.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -414.296987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.296987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.296987 (E_RNA)
where:
Base-Base interactions energy: -279.401
where: short stacking energy: -115.683
Base-Backbone interact. energy: -0.235
local terms energy: -134.660462
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -35.093
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: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -434.231900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.231900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.231900 (E_RNA)
where:
Base-Base interactions energy: -295.845
where: short stacking energy: -128.252
Base-Backbone interact. energy: -0.017
local terms energy: -138.370073
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -42.017
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: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -252.952527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.952527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.952527 (E_RNA)
where:
Base-Base interactions energy: -148.418
where: short stacking energy: -73.984
Base-Backbone interact. energy: 2.464
local terms energy: -106.998961
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -154.487004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.487004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.487004 (E_RNA)
where:
Base-Base interactions energy: -46.247
where: short stacking energy: -43.787
Base-Backbone interact. energy: -1.000
local terms energy: -107.240575
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -159.282509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.282509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.282509 (E_RNA)
where:
Base-Base interactions energy: -57.006
where: short stacking energy: -45.432
Base-Backbone interact. energy: -0.504
local terms energy: -101.772564
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -137.730883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.730883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.730883 (E_RNA)
where:
Base-Base interactions energy: -64.421
where: short stacking energy: -40.276
Base-Backbone interact. energy: 2.466
local terms energy: -75.775258
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: 4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -536.317947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.317947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.317947 (E_RNA)
where:
Base-Base interactions energy: -368.931
where: short stacking energy: -156.888
Base-Backbone interact. energy: -0.261
local terms energy: -167.126233
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -36.313
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -46.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -516.100193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.100193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.100193 (E_RNA)
where:
Base-Base interactions energy: -343.586
where: short stacking energy: -153.083
Base-Backbone interact. energy: -1.707
local terms energy: -170.807048
where:
bonds (distance) C4'-P energy: -32.666
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -47.634
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: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -481.477120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.477120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.477120 (E_RNA)
where:
Base-Base interactions energy: -330.510
where: short stacking energy: -149.515
Base-Backbone interact. energy: 0.188
local terms energy: -151.155110
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -45.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -468.112471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.112471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.112471 (E_RNA)
where:
Base-Base interactions energy: -314.369
where: short stacking energy: -134.516
Base-Backbone interact. energy: -0.563
local terms energy: -153.180544
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -39.909
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: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -449.815386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.815386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.815386 (E_RNA)
where:
Base-Base interactions energy: -295.157
where: short stacking energy: -140.420
Base-Backbone interact. energy: -1.001
local terms energy: -153.657655
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -43.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -395.929310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.929310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929310 (E_RNA)
where:
Base-Base interactions energy: -282.263
where: short stacking energy: -105.808
Base-Backbone interact. energy: 0.563
local terms energy: -114.229437
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -272.500082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.500082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.500082 (E_RNA)
where:
Base-Base interactions energy: -139.773
where: short stacking energy: -80.340
Base-Backbone interact. energy: -0.690
local terms energy: -132.036172
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -160.334301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.334301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.334301 (E_RNA)
where:
Base-Base interactions energy: -53.633
where: short stacking energy: -52.302
Base-Backbone interact. energy: -1.500
local terms energy: -105.201144
where:
bonds (distance) C4'-P energy: -30.167
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -144.913041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.913041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.913041 (E_RNA)
where:
Base-Base interactions energy: -55.867
where: short stacking energy: -44.896
Base-Backbone interact. energy: 5.541
local terms energy: -94.587255
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -15.779
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: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -153.555487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.555487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.555487 (E_RNA)
where:
Base-Base interactions energy: -56.912
where: short stacking energy: -56.912
Base-Backbone interact. energy: -0.146
local terms energy: -96.497837
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -533.735486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.735486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.735486 (E_RNA)
where:
Base-Base interactions energy: -375.108
where: short stacking energy: -152.031
Base-Backbone interact. energy: -0.419
local terms energy: -158.209182
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -35.193
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -42.406
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -518.972655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.972655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.972655 (E_RNA)
where:
Base-Base interactions energy: -347.859
where: short stacking energy: -150.441
Base-Backbone interact. energy: -0.014
local terms energy: -171.098854
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -35.438
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -48.592
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: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -486.188820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.188820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.188820 (E_RNA)
where:
Base-Base interactions energy: -329.933
where: short stacking energy: -138.078
Base-Backbone interact. energy: 0.368
local terms energy: -156.623257
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -41.166
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: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -462.555714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.555714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.555714 (E_RNA)
where:
Base-Base interactions energy: -313.846
where: short stacking energy: -127.689
Base-Backbone interact. energy: -0.711
local terms energy: -147.998994
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -36.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -461.247251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.247251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.247251 (E_RNA)
where:
Base-Base interactions energy: -310.589
where: short stacking energy: -137.308
Base-Backbone interact. energy: -1.959
local terms energy: -148.699244
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -47.226
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -407.097162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.097162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.097162 (E_RNA)
where:
Base-Base interactions energy: -263.739
where: short stacking energy: -105.816
Base-Backbone interact. energy: -1.579
local terms energy: -141.779860
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -24.285
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: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -266.799141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.799141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.799141 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -80.501
Base-Backbone interact. energy: 2.942
local terms energy: -135.158453
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -164.654632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.654632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.654632 (E_RNA)
where:
Base-Base interactions energy: -69.839
where: short stacking energy: -55.810
Base-Backbone interact. energy: 1.879
local terms energy: -96.694471
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -139.811031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.811031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.811031 (E_RNA)
where:
Base-Base interactions energy: -51.592
where: short stacking energy: -47.903
Base-Backbone interact. energy: 0.217
local terms energy: -88.436269
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -134.939966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.939966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.939966 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -42.880
Base-Backbone interact. energy: 0.598
local terms energy: -89.406135
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -522.662573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.662573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.662573 (E_RNA)
where:
Base-Base interactions energy: -353.431
where: short stacking energy: -148.232
Base-Backbone interact. energy: -1.881
local terms energy: -167.350454
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -45.999
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: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -540.320081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.320081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.320081 (E_RNA)
where:
Base-Base interactions energy: -375.009
where: short stacking energy: -156.878
Base-Backbone interact. energy: -2.377
local terms energy: -162.933460
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -45.989
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: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -496.746858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.746858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.746858 (E_RNA)
where:
Base-Base interactions energy: -337.622
where: short stacking energy: -137.036
Base-Backbone interact. energy: 0.818
local terms energy: -159.942821
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -36.200
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -40.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -474.240332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.240332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.240332 (E_RNA)
where:
Base-Base interactions energy: -325.582
where: short stacking energy: -138.285
Base-Backbone interact. energy: -0.643
local terms energy: -148.015340
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -36.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -406.749678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.749678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.749678 (E_RNA)
where:
Base-Base interactions energy: -275.352
where: short stacking energy: -121.283
Base-Backbone interact. energy: -0.384
local terms energy: -131.013757
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -30.722
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: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -425.796676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.796676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.796676 (E_RNA)
where:
Base-Base interactions energy: -274.553
where: short stacking energy: -132.460
Base-Backbone interact. energy: -0.059
local terms energy: -151.184561
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -41.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -289.417551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.417551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.417551 (E_RNA)
where:
Base-Base interactions energy: -176.334
where: short stacking energy: -78.704
Base-Backbone interact. energy: 2.534
local terms energy: -115.617899
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -156.845012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.845012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.845012 (E_RNA)
where:
Base-Base interactions energy: -62.336
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.845
local terms energy: -93.663811
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: 1.827
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: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -153.028337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.028337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.028337 (E_RNA)
where:
Base-Base interactions energy: -50.601
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.503
local terms energy: -101.923700
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -143.964479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.964479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.964479 (E_RNA)
where:
Base-Base interactions energy: -55.743
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.413
local terms energy: -87.808337
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -537.455264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.455264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.455264 (E_RNA)
where:
Base-Base interactions energy: -368.578
where: short stacking energy: -154.323
Base-Backbone interact. energy: -0.108
local terms energy: -168.768459
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -47.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -510.151301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.151301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.151301 (E_RNA)
where:
Base-Base interactions energy: -356.815
where: short stacking energy: -152.815
Base-Backbone interact. energy: -0.023
local terms energy: -153.313847
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -46.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -521.305435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.305435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.305435 (E_RNA)
where:
Base-Base interactions energy: -369.656
where: short stacking energy: -147.400
Base-Backbone interact. energy: -0.304
local terms energy: -151.346094
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -44.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -461.576808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.576808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.576808 (E_RNA)
where:
Base-Base interactions energy: -317.364
where: short stacking energy: -135.683
Base-Backbone interact. energy: -0.854
local terms energy: -143.358981
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -31.505
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -38.132
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: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -440.316089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.316089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.316089 (E_RNA)
where:
Base-Base interactions energy: -289.173
where: short stacking energy: -123.516
Base-Backbone interact. energy: -1.270
local terms energy: -149.872525
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -32.289
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -36.424
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: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -444.792735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.792735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.792735 (E_RNA)
where:
Base-Base interactions energy: -303.655
where: short stacking energy: -154.233
Base-Backbone interact. energy: -0.174
local terms energy: -140.963580
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -48.738
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -262.169055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.169055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.169055 (E_RNA)
where:
Base-Base interactions energy: -136.389
where: short stacking energy: -77.136
Base-Backbone interact. energy: -0.333
local terms energy: -125.446667
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -162.997384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.997384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.997384 (E_RNA)
where:
Base-Base interactions energy: -55.210
where: short stacking energy: -53.659
Base-Backbone interact. energy: 0.162
local terms energy: -107.948782
where:
bonds (distance) C4'-P energy: -30.450
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -3.647
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: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -171.053002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.053002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.053002 (E_RNA)
where:
Base-Base interactions energy: -77.510
where: short stacking energy: -40.417
Base-Backbone interact. energy: -1.410
local terms energy: -92.132246
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -144.628703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.628703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.628703 (E_RNA)
where:
Base-Base interactions energy: -52.726
where: short stacking energy: -50.073
Base-Backbone interact. energy: 0.466
local terms energy: -92.369446
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -531.440413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.440413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.440413 (E_RNA)
where:
Base-Base interactions energy: -358.337
where: short stacking energy: -156.175
Base-Backbone interact. energy: 0.142
local terms energy: -173.245521
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -501.756579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.756579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.756579 (E_RNA)
where:
Base-Base interactions energy: -348.029
where: short stacking energy: -135.360
Base-Backbone interact. energy: -0.858
local terms energy: -152.869890
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -42.204
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: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -524.274034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.274034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.274034 (E_RNA)
where:
Base-Base interactions energy: -373.190
where: short stacking energy: -142.691
Base-Backbone interact. energy: 0.284
local terms energy: -151.368554
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -453.002602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.002602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.002602 (E_RNA)
where:
Base-Base interactions energy: -313.529
where: short stacking energy: -138.733
Base-Backbone interact. energy: 1.257
local terms energy: -140.730290
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -25.863
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -37.619
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: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -430.365185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.365185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.365185 (E_RNA)
where:
Base-Base interactions energy: -288.456
where: short stacking energy: -137.875
Base-Backbone interact. energy: 0.416
local terms energy: -142.325120
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -418.819497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.819497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.819497 (E_RNA)
where:
Base-Base interactions energy: -279.703
where: short stacking energy: -109.057
Base-Backbone interact. energy: 0.475
local terms energy: -139.592007
where:
bonds (distance) C4'-P energy: -32.428
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -30.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -175.998494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.998494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.998494 (E_RNA)
where:
Base-Base interactions energy: -72.003
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.203
local terms energy: -103.792769
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -254.008904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.008904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.008904 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -82.512
Base-Backbone interact. energy: -0.298
local terms energy: -109.755983
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -144.084315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.084315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.084315 (E_RNA)
where:
Base-Base interactions energy: -47.820
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.502
local terms energy: -95.762332
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: 4.294
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: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -149.481167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.481167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.481167 (E_RNA)
where:
Base-Base interactions energy: -57.994
where: short stacking energy: -48.385
Base-Backbone interact. energy: 0.028
local terms energy: -91.514615
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -16.660
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: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -534.596133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.596133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.596133 (E_RNA)
where:
Base-Base interactions energy: -360.872
where: short stacking energy: -154.620
Base-Backbone interact. energy: -0.018
local terms energy: -173.706084
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -47.177
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -523.586047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.586047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.586047 (E_RNA)
where:
Base-Base interactions energy: -356.349
where: short stacking energy: -158.911
Base-Backbone interact. energy: -0.362
local terms energy: -166.874508
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -48.085
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: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -495.112548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.112548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.112548 (E_RNA)
where:
Base-Base interactions energy: -338.050
where: short stacking energy: -145.840
Base-Backbone interact. energy: -0.769
local terms energy: -156.293602
where:
bonds (distance) C4'-P energy: -29.512
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -473.895062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.895062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.895062 (E_RNA)
where:
Base-Base interactions energy: -309.734
where: short stacking energy: -148.497
Base-Backbone interact. energy: -0.005
local terms energy: -164.156024
where:
bonds (distance) C4'-P energy: -32.640
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -49.600
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -457.701837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.701837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.701837 (E_RNA)
where:
Base-Base interactions energy: -323.695
where: short stacking energy: -149.213
Base-Backbone interact. energy: 1.274
local terms energy: -135.280854
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -395.752019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.752019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.752019 (E_RNA)
where:
Base-Base interactions energy: -274.887
where: short stacking energy: -123.991
Base-Backbone interact. energy: 0.481
local terms energy: -121.346491
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -19.302
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -182.422151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.422151 (E_RNA)
where:
Base-Base interactions energy: -81.797
where: short stacking energy: -65.906
Base-Backbone interact. energy: 1.487
local terms energy: -102.112915
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -30.877
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -250.062399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.062399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.062399 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.523
local terms energy: -115.741606
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -145.201610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.201610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.201610 (E_RNA)
where:
Base-Base interactions energy: -54.909
where: short stacking energy: -38.827
Base-Backbone interact. energy: 0.168
local terms energy: -90.460829
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: 4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -142.256630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.256630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.256630 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.215
local terms energy: -90.186667
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -518.582529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.582529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.582529 (E_RNA)
where:
Base-Base interactions energy: -347.106
where: short stacking energy: -149.981
Base-Backbone interact. energy: -2.251
local terms energy: -169.225753
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -41.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -520.868560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.868560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.868560 (E_RNA)
where:
Base-Base interactions energy: -367.624
where: short stacking energy: -157.211
Base-Backbone interact. energy: -0.933
local terms energy: -152.311999
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -43.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -475.272052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.272052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.272052 (E_RNA)
where:
Base-Base interactions energy: -312.089
where: short stacking energy: -155.393
Base-Backbone interact. energy: -0.673
local terms energy: -162.509195
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -46.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -465.367877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.367877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.367877 (E_RNA)
where:
Base-Base interactions energy: -307.196
where: short stacking energy: -152.363
Base-Backbone interact. energy: -0.360
local terms energy: -157.812338
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -50.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -466.039249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.039249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.039249 (E_RNA)
where:
Base-Base interactions energy: -304.439
where: short stacking energy: -135.858
Base-Backbone interact. energy: -0.146
local terms energy: -161.454784
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -44.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -401.090360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.090360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.090360 (E_RNA)
where:
Base-Base interactions energy: -275.630
where: short stacking energy: -107.354
Base-Backbone interact. energy: -0.636
local terms energy: -124.824959
where:
bonds (distance) C4'-P energy: -24.997
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -272.286677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.286677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.286677 (E_RNA)
where:
Base-Base interactions energy: -145.261
where: short stacking energy: -76.020
Base-Backbone interact. energy: 1.489
local terms energy: -128.514365
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -30.483
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -156.300043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.300043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.300043 (E_RNA)
where:
Base-Base interactions energy: -51.976
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.674
local terms energy: -103.650368
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -146.697710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.697710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.697710 (E_RNA)
where:
Base-Base interactions energy: -57.123
where: short stacking energy: -35.789
Base-Backbone interact. energy: 0.079
local terms energy: -89.653164
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -138.788289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.788289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.788289 (E_RNA)
where:
Base-Base interactions energy: -55.301
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.333
local terms energy: -83.154367
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -2.850
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: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -526.184331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.184331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.184331 (E_RNA)
where:
Base-Base interactions energy: -355.536
where: short stacking energy: -135.835
Base-Backbone interact. energy: -0.339
local terms energy: -170.309658
where:
bonds (distance) C4'-P energy: -30.966
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -44.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -518.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.541528 (E_RNA)
where:
Base-Base interactions energy: -353.158
where: short stacking energy: -152.304
Base-Backbone interact. energy: 0.120
local terms energy: -165.503768
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -46.922
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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -494.042848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.042848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.042848 (E_RNA)
where:
Base-Base interactions energy: -327.223
where: short stacking energy: -157.700
Base-Backbone interact. energy: -0.513
local terms energy: -166.306954
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -52.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -469.155392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.155392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.155392 (E_RNA)
where:
Base-Base interactions energy: -308.242
where: short stacking energy: -132.655
Base-Backbone interact. energy: -0.015
local terms energy: -160.897740
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -43.274
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -465.768486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.768486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.768486 (E_RNA)
where:
Base-Base interactions energy: -332.755
where: short stacking energy: -132.264
Base-Backbone interact. energy: -0.212
local terms energy: -132.800947
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -391.129052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.129052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.129052 (E_RNA)
where:
Base-Base interactions energy: -268.747
where: short stacking energy: -97.464
Base-Backbone interact. energy: -1.371
local terms energy: -121.010370
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -256.484097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.484097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.484097 (E_RNA)
where:
Base-Base interactions energy: -140.798
where: short stacking energy: -86.080
Base-Backbone interact. energy: -0.199
local terms energy: -115.487547
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -170.510001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.510001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.510001 (E_RNA)
where:
Base-Base interactions energy: -76.320
where: short stacking energy: -52.722
Base-Backbone interact. energy: 0.139
local terms energy: -94.329639
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -146.557919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.557919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.557919 (E_RNA)
where:
Base-Base interactions energy: -46.188
where: short stacking energy: -36.992
Base-Backbone interact. energy: -1.049
local terms energy: -99.320833
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -161.485445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.485445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.485445 (E_RNA)
where:
Base-Base interactions energy: -59.817
where: short stacking energy: -42.265
Base-Backbone interact. energy: -1.562
local terms energy: -100.106653
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -525.194040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.194040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.194040 (E_RNA)
where:
Base-Base interactions energy: -359.569
where: short stacking energy: -139.187
Base-Backbone interact. energy: -0.416
local terms energy: -165.209125
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -33.400
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -41.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -513.517534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.517534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.517534 (E_RNA)
where:
Base-Base interactions energy: -355.563
where: short stacking energy: -152.471
Base-Backbone interact. energy: -0.750
local terms energy: -157.204479
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -478.679511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.679511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.679511 (E_RNA)
where:
Base-Base interactions energy: -322.204
where: short stacking energy: -130.299
Base-Backbone interact. energy: -0.035
local terms energy: -156.440362
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -41.703
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: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -483.854383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.854383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.854383 (E_RNA)
where:
Base-Base interactions energy: -321.956
where: short stacking energy: -157.887
Base-Backbone interact. energy: -0.662
local terms energy: -161.236557
where:
bonds (distance) C4'-P energy: -32.725
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -481.744817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.744817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.744817 (E_RNA)
where:
Base-Base interactions energy: -328.528
where: short stacking energy: -137.717
Base-Backbone interact. energy: -0.413
local terms energy: -152.803284
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -398.379857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.379857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.379857 (E_RNA)
where:
Base-Base interactions energy: -263.450
where: short stacking energy: -122.104
Base-Backbone interact. energy: -0.252
local terms energy: -134.677689
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -29.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -224.804042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.804042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.804042 (E_RNA)
where:
Base-Base interactions energy: -123.595
where: short stacking energy: -70.923
Base-Backbone interact. energy: 1.249
local terms energy: -102.458386
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -181.325886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.325886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.325886 (E_RNA)
where:
Base-Base interactions energy: -70.087
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.388
local terms energy: -110.851030
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -9.868
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: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -152.417494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.417494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.417494 (E_RNA)
where:
Base-Base interactions energy: -58.043
where: short stacking energy: -52.023
Base-Backbone interact. energy: 1.168
local terms energy: -95.542296
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -136.008333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.008333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.008333 (E_RNA)
where:
Base-Base interactions energy: -42.597
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.305
local terms energy: -93.106249
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -529.583114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.583114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.583114 (E_RNA)
where:
Base-Base interactions energy: -360.631
where: short stacking energy: -155.456
Base-Backbone interact. energy: -0.091
local terms energy: -168.861193
where:
bonds (distance) C4'-P energy: -33.054
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -45.624
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: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -512.891377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.891377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.891377 (E_RNA)
where:
Base-Base interactions energy: -354.555
where: short stacking energy: -151.772
Base-Backbone interact. energy: -0.389
local terms energy: -157.947812
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -483.408294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.408294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.408294 (E_RNA)
where:
Base-Base interactions energy: -321.766
where: short stacking energy: -134.386
Base-Backbone interact. energy: -0.291
local terms energy: -161.351580
where:
bonds (distance) C4'-P energy: -34.862
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -45.349
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: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -474.392033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.392033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.392033 (E_RNA)
where:
Base-Base interactions energy: -315.056
where: short stacking energy: -155.910
Base-Backbone interact. energy: -0.250
local terms energy: -159.086061
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -51.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -462.458423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.458423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.458423 (E_RNA)
where:
Base-Base interactions energy: -317.794
where: short stacking energy: -135.807
Base-Backbone interact. energy: -0.539
local terms energy: -144.124882
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -378.895335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.895335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.895335 (E_RNA)
where:
Base-Base interactions energy: -248.377
where: short stacking energy: -98.339
Base-Backbone interact. energy: -0.209
local terms energy: -130.309943
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -235.710920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.710920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.710920 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -82.108
Base-Backbone interact. energy: 1.937
local terms energy: -106.453128
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -163.179605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.179605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.179605 (E_RNA)
where:
Base-Base interactions energy: -65.111
where: short stacking energy: -49.358
Base-Backbone interact. energy: 0.491
local terms energy: -98.559818
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -154.275750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.275750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.275750 (E_RNA)
where:
Base-Base interactions energy: -55.648
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.864
local terms energy: -97.763775
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -21.173
tors. eta vs tors. theta energy: 5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -141.796494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.796494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.796494 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -41.650
Base-Backbone interact. energy: -1.511
local terms energy: -95.167022
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -29.960
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -4.075
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: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -531.190772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.190772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.190772 (E_RNA)
where:
Base-Base interactions energy: -354.571
where: short stacking energy: -156.715
Base-Backbone interact. energy: -1.309
local terms energy: -175.311040
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -49.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -520.278318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.278318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.278318 (E_RNA)
where:
Base-Base interactions energy: -367.090
where: short stacking energy: -149.748
Base-Backbone interact. energy: -1.443
local terms energy: -151.745504
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -42.253
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: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -500.940661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.940661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.940661 (E_RNA)
where:
Base-Base interactions energy: -336.224
where: short stacking energy: -150.195
Base-Backbone interact. energy: -0.121
local terms energy: -164.595724
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -460.105445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.105445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.105445 (E_RNA)
where:
Base-Base interactions energy: -314.137
where: short stacking energy: -133.901
Base-Backbone interact. energy: -0.007
local terms energy: -145.960701
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -41.818
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: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -403.976422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.976422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.976422 (E_RNA)
where:
Base-Base interactions energy: -273.811
where: short stacking energy: -120.125
Base-Backbone interact. energy: -0.965
local terms energy: -129.201007
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -33.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -426.035057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.035057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.035057 (E_RNA)
where:
Base-Base interactions energy: -299.597
where: short stacking energy: -130.889
Base-Backbone interact. energy: -0.590
local terms energy: -125.848095
where:
bonds (distance) C4'-P energy: -31.968
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -233.526788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.526788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.526788 (E_RNA)
where:
Base-Base interactions energy: -133.812
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.757
local terms energy: -98.957711
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -172.289662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.289662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.289662 (E_RNA)
where:
Base-Base interactions energy: -74.948
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.324
local terms energy: -97.017331
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -153.556968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.556968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.556968 (E_RNA)
where:
Base-Base interactions energy: -55.367
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.256
local terms energy: -97.934313
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -137.093147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.093147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.093147 (E_RNA)
where:
Base-Base interactions energy: -51.007
where: short stacking energy: -38.479
Base-Backbone interact. energy: 0.216
local terms energy: -86.301780
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: 6.953
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: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -528.737567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.737567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.737567 (E_RNA)
where:
Base-Base interactions energy: -356.445
where: short stacking energy: -152.834
Base-Backbone interact. energy: -0.880
local terms energy: -171.413182
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -44.793
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: 111
Temperature: 0.950000
Total energy: -498.788409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.788409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.788409 (E_RNA)
where:
Base-Base interactions energy: -339.621
where: short stacking energy: -155.521
Base-Backbone interact. energy: -0.626
local terms energy: -158.541977
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -47.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -518.106714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.106714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.106714 (E_RNA)
where:
Base-Base interactions energy: -354.746
where: short stacking energy: -151.835
Base-Backbone interact. energy: -0.105
local terms energy: -163.255907
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -43.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -450.369138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.369138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.369138 (E_RNA)
where:
Base-Base interactions energy: -312.087
where: short stacking energy: -133.292
Base-Backbone interact. energy: 1.321
local terms energy: -139.603028
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -40.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -419.832938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.832938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.832938 (E_RNA)
where:
Base-Base interactions energy: -283.603
where: short stacking energy: -107.696
Base-Backbone interact. energy: -1.263
local terms energy: -134.967034
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -32.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -438.987821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.987821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.987821 (E_RNA)
where:
Base-Base interactions energy: -297.997
where: short stacking energy: -130.204
Base-Backbone interact. energy: -0.112
local terms energy: -140.879748
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -40.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -160.784016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.784016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.784016 (E_RNA)
where:
Base-Base interactions energy: -64.331
where: short stacking energy: -44.872
Base-Backbone interact. energy: -1.972
local terms energy: -94.480590
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -212.150200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.150200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.150200 (E_RNA)
where:
Base-Base interactions energy: -99.154
where: short stacking energy: -76.150
Base-Backbone interact. energy: 0.387
local terms energy: -113.383092
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -15.753
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: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -169.856445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.856445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.856445 (E_RNA)
where:
Base-Base interactions energy: -56.616
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.191
local terms energy: -113.049927
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -139.115134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.115134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.115134 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.890
local terms energy: -91.900507
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -526.594166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.594166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.594166 (E_RNA)
where:
Base-Base interactions energy: -354.286
where: short stacking energy: -152.947
Base-Backbone interact. energy: 1.039
local terms energy: -173.346726
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -48.646
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: 112
Temperature: 0.950000
Total energy: -494.258758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.258758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.258758 (E_RNA)
where:
Base-Base interactions energy: -333.111
where: short stacking energy: -164.741
Base-Backbone interact. energy: -0.026
local terms energy: -161.121903
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -48.497
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: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -479.728839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.728839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.728839 (E_RNA)
where:
Base-Base interactions energy: -323.740
where: short stacking energy: -140.045
Base-Backbone interact. energy: -0.128
local terms energy: -155.861012
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -44.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -491.033863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.033863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.033863 (E_RNA)
where:
Base-Base interactions energy: -345.897
where: short stacking energy: -136.799
Base-Backbone interact. energy: 0.722
local terms energy: -145.858994
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -38.643
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -434.509618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.509618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.509618 (E_RNA)
where:
Base-Base interactions energy: -286.795
where: short stacking energy: -121.578
Base-Backbone interact. energy: -0.913
local terms energy: -146.802292
where:
bonds (distance) C4'-P energy: -26.066
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -431.245894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.245894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.245894 (E_RNA)
where:
Base-Base interactions energy: -288.032
where: short stacking energy: -135.777
Base-Backbone interact. energy: -0.225
local terms energy: -142.988631
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -36.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -300.631468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.631468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.631468 (E_RNA)
where:
Base-Base interactions energy: -188.555
where: short stacking energy: -80.491
Base-Backbone interact. energy: -0.088
local terms energy: -111.987594
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -156.999661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.999661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.999661 (E_RNA)
where:
Base-Base interactions energy: -83.852
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.691
local terms energy: -72.456540
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -157.605537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.605537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.605537 (E_RNA)
where:
Base-Base interactions energy: -61.485
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.771
local terms energy: -95.348657
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -129.478273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.478273 (E_RNA)
where:
Base-Base interactions energy: -48.237
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.930
local terms energy: -80.311115
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: 7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -524.076220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.076220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.076220 (E_RNA)
where:
Base-Base interactions energy: -354.572
where: short stacking energy: -160.756
Base-Backbone interact. energy: -0.169
local terms energy: -169.335163
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -48.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -494.945585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.945585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.945585 (E_RNA)
where:
Base-Base interactions energy: -329.950
where: short stacking energy: -152.180
Base-Backbone interact. energy: -0.200
local terms energy: -164.795828
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -45.473
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -468.364505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.364505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.364505 (E_RNA)
where:
Base-Base interactions energy: -307.948
where: short stacking energy: -124.713
Base-Backbone interact. energy: -0.182
local terms energy: -160.234313
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -39.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -509.218358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.218358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.218358 (E_RNA)
where:
Base-Base interactions energy: -355.003
where: short stacking energy: -132.626
Base-Backbone interact. energy: -0.278
local terms energy: -153.937310
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -40.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -434.503354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.503354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.503354 (E_RNA)
where:
Base-Base interactions energy: -290.669
where: short stacking energy: -140.699
Base-Backbone interact. energy: -0.068
local terms energy: -143.766050
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -43.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -412.828177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.828177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.828177 (E_RNA)
where:
Base-Base interactions energy: -284.796
where: short stacking energy: -117.610
Base-Backbone interact. energy: -0.837
local terms energy: -127.195168
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -12.365
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: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -279.770508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.770508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.770508 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.504
local terms energy: -125.797638
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -168.260609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.260609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.260609 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.724
local terms energy: -95.024052
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -159.396376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.396376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.396376 (E_RNA)
where:
Base-Base interactions energy: -63.331
where: short stacking energy: -33.724
Base-Backbone interact. energy: -0.557
local terms energy: -95.508305
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -140.779038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.779038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.779038 (E_RNA)
where:
Base-Base interactions energy: -59.850
where: short stacking energy: -48.714
Base-Backbone interact. energy: -0.116
local terms energy: -80.813148
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -6.926
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -519.759742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.759742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.759742 (E_RNA)
where:
Base-Base interactions energy: -367.240
where: short stacking energy: -145.342
Base-Backbone interact. energy: 0.692
local terms energy: -153.211936
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -43.029
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -501.252864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.252864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.252864 (E_RNA)
where:
Base-Base interactions energy: -327.438
where: short stacking energy: -158.433
Base-Backbone interact. energy: -0.086
local terms energy: -173.728835
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -52.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -504.203306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.203306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.203306 (E_RNA)
where:
Base-Base interactions energy: -342.098
where: short stacking energy: -135.658
Base-Backbone interact. energy: -0.217
local terms energy: -161.888147
where:
bonds (distance) C4'-P energy: -32.786
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -39.384
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: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -463.072117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.072117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.072117 (E_RNA)
where:
Base-Base interactions energy: -320.798
where: short stacking energy: -137.158
Base-Backbone interact. energy: -0.675
local terms energy: -141.599508
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -36.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -452.097757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.097757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.097757 (E_RNA)
where:
Base-Base interactions energy: -298.573
where: short stacking energy: -128.176
Base-Backbone interact. energy: -0.752
local terms energy: -152.772470
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -45.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -419.180448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.180448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.180448 (E_RNA)
where:
Base-Base interactions energy: -279.101
where: short stacking energy: -126.632
Base-Backbone interact. energy: -0.240
local terms energy: -139.839765
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -40.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -258.019206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.019206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.019206 (E_RNA)
where:
Base-Base interactions energy: -150.138
where: short stacking energy: -79.076
Base-Backbone interact. energy: 1.323
local terms energy: -109.203843
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -162.197637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.197637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.197637 (E_RNA)
where:
Base-Base interactions energy: -73.717
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.797
local terms energy: -87.683558
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -143.446948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.446948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.446948 (E_RNA)
where:
Base-Base interactions energy: -48.294
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.593
local terms energy: -94.559990
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -166.138914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.138914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.138914 (E_RNA)
where:
Base-Base interactions energy: -69.952
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.381
local terms energy: -95.805745
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -519.863700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.863700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.863700 (E_RNA)
where:
Base-Base interactions energy: -349.684
where: short stacking energy: -145.544
Base-Backbone interact. energy: -0.318
local terms energy: -169.861954
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -25.855
tors. eta vs tors. theta energy: -46.655
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -510.235023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.235023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.235023 (E_RNA)
where:
Base-Base interactions energy: -351.354
where: short stacking energy: -149.310
Base-Backbone interact. energy: -1.532
local terms energy: -157.349575
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -43.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -479.769135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.769135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.769135 (E_RNA)
where:
Base-Base interactions energy: -319.860
where: short stacking energy: -161.263
Base-Backbone interact. energy: -0.762
local terms energy: -159.146734
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -48.126
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -465.878797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.878797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.878797 (E_RNA)
where:
Base-Base interactions energy: -311.134
where: short stacking energy: -135.699
Base-Backbone interact. energy: -0.177
local terms energy: -154.567964
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -47.039
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -453.526267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.526267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.526267 (E_RNA)
where:
Base-Base interactions energy: -305.364
where: short stacking energy: -130.850
Base-Backbone interact. energy: -0.418
local terms energy: -147.743976
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -41.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -409.456884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.456884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.456884 (E_RNA)
where:
Base-Base interactions energy: -274.084
where: short stacking energy: -130.675
Base-Backbone interact. energy: -2.106
local terms energy: -133.267104
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -32.240
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -30.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -193.446719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.446719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.446719 (E_RNA)
where:
Base-Base interactions energy: -102.243
where: short stacking energy: -47.871
Base-Backbone interact. energy: -1.759
local terms energy: -89.444778
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -2.821
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: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -162.360299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.360299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.360299 (E_RNA)
where:
Base-Base interactions energy: -69.664
where: short stacking energy: -44.619
Base-Backbone interact. energy: -0.275
local terms energy: -92.420938
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -146.032644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.032644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.032644 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -41.693
Base-Backbone interact. energy: -0.151
local terms energy: -104.288694
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -148.520249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.520249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.520249 (E_RNA)
where:
Base-Base interactions energy: -62.741
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.472
local terms energy: -85.307097
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: 7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -513.037402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.037402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.037402 (E_RNA)
where:
Base-Base interactions energy: -350.332
where: short stacking energy: -149.311
Base-Backbone interact. energy: 1.366
local terms energy: -164.072150
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -43.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -523.110282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.110282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.110282 (E_RNA)
where:
Base-Base interactions energy: -355.106
where: short stacking energy: -148.334
Base-Backbone interact. energy: 0.692
local terms energy: -168.695799
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -486.764281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.764281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.764281 (E_RNA)
where:
Base-Base interactions energy: -327.316
where: short stacking energy: -169.801
Base-Backbone interact. energy: -0.031
local terms energy: -159.417412
where:
bonds (distance) C4'-P energy: -30.280
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -49.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -469.384105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.384105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.384105 (E_RNA)
where:
Base-Base interactions energy: -314.656
where: short stacking energy: -143.282
Base-Backbone interact. energy: -0.094
local terms energy: -154.633882
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -45.058
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: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -431.069303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.069303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.069303 (E_RNA)
where:
Base-Base interactions energy: -290.148
where: short stacking energy: -126.760
Base-Backbone interact. energy: -0.613
local terms energy: -140.308294
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -435.071434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.071434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.071434 (E_RNA)
where:
Base-Base interactions energy: -295.845
where: short stacking energy: -118.564
Base-Backbone interact. energy: -0.387
local terms energy: -138.839731
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -37.384
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: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -171.833810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.833810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.833810 (E_RNA)
where:
Base-Base interactions energy: -68.516
where: short stacking energy: -31.508
Base-Backbone interact. energy: -1.210
local terms energy: -102.107586
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -172.257853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.257853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.257853 (E_RNA)
where:
Base-Base interactions energy: -68.006
where: short stacking energy: -55.674
Base-Backbone interact. energy: 0.024
local terms energy: -104.276229
where:
bonds (distance) C4'-P energy: -33.002
bonds (distance) P-C4' energy: -24.941
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -143.854377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.854377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.854377 (E_RNA)
where:
Base-Base interactions energy: -52.984
where: short stacking energy: -44.652
Base-Backbone interact. energy: -0.910
local terms energy: -89.959518
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -141.592696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.592696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.592696 (E_RNA)
where:
Base-Base interactions energy: -49.009
where: short stacking energy: -42.075
Base-Backbone interact. energy: -0.299
local terms energy: -92.285022
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -31.852
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -530.815909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.815909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.815909 (E_RNA)
where:
Base-Base interactions energy: -357.066
where: short stacking energy: -155.500
Base-Backbone interact. energy: -0.460
local terms energy: -173.289165
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -45.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -506.749581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.749581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.749581 (E_RNA)
where:
Base-Base interactions energy: -349.902
where: short stacking energy: -152.210
Base-Backbone interact. energy: -1.597
local terms energy: -155.251120
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -32.217
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -482.281910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.281910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.281910 (E_RNA)
where:
Base-Base interactions energy: -319.545
where: short stacking energy: -160.400
Base-Backbone interact. energy: -0.093
local terms energy: -162.644276
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -50.215
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -425.339794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.339794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.339794 (E_RNA)
where:
Base-Base interactions energy: -286.303
where: short stacking energy: -126.757
Base-Backbone interact. energy: -0.898
local terms energy: -138.138106
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -37.727
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -449.539161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.539161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.539161 (E_RNA)
where:
Base-Base interactions energy: -308.803
where: short stacking energy: -128.331
Base-Backbone interact. energy: -0.090
local terms energy: -140.646488
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -36.527
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: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -438.209034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.209034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.209034 (E_RNA)
where:
Base-Base interactions energy: -305.225
where: short stacking energy: -122.418
Base-Backbone interact. energy: -0.367
local terms energy: -132.616406
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -27.487
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -38.227
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -157.087692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.087692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.087692 (E_RNA)
where:
Base-Base interactions energy: -53.718
where: short stacking energy: -34.092
Base-Backbone interact. energy: -1.425
local terms energy: -101.943970
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -172.298923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.298923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.298923 (E_RNA)
where:
Base-Base interactions energy: -69.511
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.474
local terms energy: -102.314167
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -161.820882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.820882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.820882 (E_RNA)
where:
Base-Base interactions energy: -72.261
where: short stacking energy: -48.203
Base-Backbone interact. energy: 0.012
local terms energy: -89.572097
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -146.302079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.302079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.302079 (E_RNA)
where:
Base-Base interactions energy: -50.324
where: short stacking energy: -43.367
Base-Backbone interact. energy: 0.009
local terms energy: -95.987922
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: 5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -512.563861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.563861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.563861 (E_RNA)
where:
Base-Base interactions energy: -349.395
where: short stacking energy: -153.541
Base-Backbone interact. energy: -0.299
local terms energy: -162.869976
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -46.879
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -520.246972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.246972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.246972 (E_RNA)
where:
Base-Base interactions energy: -359.666
where: short stacking energy: -146.886
Base-Backbone interact. energy: -0.535
local terms energy: -160.045473
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -481.745955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.745955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.745955 (E_RNA)
where:
Base-Base interactions energy: -314.643
where: short stacking energy: -149.860
Base-Backbone interact. energy: -1.225
local terms energy: -165.878083
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -47.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -425.413180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.413180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.413180 (E_RNA)
where:
Base-Base interactions energy: -288.722
where: short stacking energy: -125.366
Base-Backbone interact. energy: -0.661
local terms energy: -136.029888
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -452.593975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.593975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.593975 (E_RNA)
where:
Base-Base interactions energy: -292.918
where: short stacking energy: -130.824
Base-Backbone interact. energy: -0.409
local terms energy: -159.266378
where:
bonds (distance) C4'-P energy: -32.882
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -448.078623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.078623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.078623 (E_RNA)
where:
Base-Base interactions energy: -313.144
where: short stacking energy: -132.031
Base-Backbone interact. energy: 3.002
local terms energy: -137.936547
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -181.976180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.976180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.976180 (E_RNA)
where:
Base-Base interactions energy: -76.314
where: short stacking energy: -58.907
Base-Backbone interact. energy: 0.630
local terms energy: -106.292089
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -171.984328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.984328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.984328 (E_RNA)
where:
Base-Base interactions energy: -76.100
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.433
local terms energy: -95.451242
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -30.638
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -140.648290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.648290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.648290 (E_RNA)
where:
Base-Base interactions energy: -38.153
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.274
local terms energy: -102.221661
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -147.686311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.686311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.686311 (E_RNA)
where:
Base-Base interactions energy: -53.703
where: short stacking energy: -49.760
Base-Backbone interact. energy: 0.137
local terms energy: -94.120049
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -10.148
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: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -524.017138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.017138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.017138 (E_RNA)
where:
Base-Base interactions energy: -369.149
where: short stacking energy: -165.553
Base-Backbone interact. energy: -0.742
local terms energy: -154.125828
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -515.091617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.091617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.091617 (E_RNA)
where:
Base-Base interactions energy: -353.195
where: short stacking energy: -153.132
Base-Backbone interact. energy: -1.251
local terms energy: -160.646166
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -477.946366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.946366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.946366 (E_RNA)
where:
Base-Base interactions energy: -322.296
where: short stacking energy: -150.233
Base-Backbone interact. energy: -1.033
local terms energy: -154.617340
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -47.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -437.098205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.098205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.098205 (E_RNA)
where:
Base-Base interactions energy: -291.223
where: short stacking energy: -127.405
Base-Backbone interact. energy: -0.569
local terms energy: -145.305901
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -29.107
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -40.494
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: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -448.607187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.607187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.607187 (E_RNA)
where:
Base-Base interactions energy: -295.756
where: short stacking energy: -136.746
Base-Backbone interact. energy: -0.180
local terms energy: -152.671587
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -42.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -437.719145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.719145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.719145 (E_RNA)
where:
Base-Base interactions energy: -296.667
where: short stacking energy: -129.825
Base-Backbone interact. energy: 0.071
local terms energy: -141.123253
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -38.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -172.644161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.644161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.644161 (E_RNA)
where:
Base-Base interactions energy: -73.435
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.494
local terms energy: -98.714891
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -16.263
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: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -164.950966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.950966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.950966 (E_RNA)
where:
Base-Base interactions energy: -74.951
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.041
local terms energy: -89.958469
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -172.766066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.766066 (E_RNA)
where:
Base-Base interactions energy: -77.812
where: short stacking energy: -52.046
Base-Backbone interact. energy: -1.104
local terms energy: -93.850208
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: 0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -133.930714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.930714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.930714 (E_RNA)
where:
Base-Base interactions energy: -43.875
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.144
local terms energy: -89.912360
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -28.201
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -535.164896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.164896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.164896 (E_RNA)
where:
Base-Base interactions energy: -362.652
where: short stacking energy: -163.905
Base-Backbone interact. energy: 1.223
local terms energy: -173.735747
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -514.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.869023 (E_RNA)
where:
Base-Base interactions energy: -348.229
where: short stacking energy: -145.667
Base-Backbone interact. energy: 2.709
local terms energy: -169.348313
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -42.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -452.714382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.714382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.714382 (E_RNA)
where:
Base-Base interactions energy: -305.830
where: short stacking energy: -137.035
Base-Backbone interact. energy: -0.686
local terms energy: -146.198146
where:
bonds (distance) C4'-P energy: -35.780
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -473.995774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.995774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.995774 (E_RNA)
where:
Base-Base interactions energy: -319.633
where: short stacking energy: -147.848
Base-Backbone interact. energy: -0.312
local terms energy: -154.050776
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -46.827
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -438.151272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.151272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.151272 (E_RNA)
where:
Base-Base interactions energy: -282.481
where: short stacking energy: -126.943
Base-Backbone interact. energy: 0.827
local terms energy: -156.496883
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -29.306
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -40.636
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: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -430.484207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.484207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.484207 (E_RNA)
where:
Base-Base interactions energy: -290.921
where: short stacking energy: -123.624
Base-Backbone interact. energy: -0.039
local terms energy: -139.524015
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -44.645
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: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -164.388562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.388562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.388562 (E_RNA)
where:
Base-Base interactions energy: -79.869
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.159
local terms energy: -84.360930
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -157.411084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.411084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.411084 (E_RNA)
where:
Base-Base interactions energy: -55.477
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.354
local terms energy: -101.580551
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -160.923635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.923635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.923635 (E_RNA)
where:
Base-Base interactions energy: -62.783
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.611
local terms energy: -97.529465
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -16.904
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: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -153.579378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.579378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.579378 (E_RNA)
where:
Base-Base interactions energy: -52.354
where: short stacking energy: -52.191
Base-Backbone interact. energy: -0.217
local terms energy: -101.007959
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -13.717
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: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -530.679840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.679840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.679840 (E_RNA)
where:
Base-Base interactions energy: -362.761
where: short stacking energy: -156.040
Base-Backbone interact. energy: -0.200
local terms energy: -167.718698
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -47.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -515.287485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.287485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.287485 (E_RNA)
where:
Base-Base interactions energy: -355.384
where: short stacking energy: -150.323
Base-Backbone interact. energy: 0.980
local terms energy: -160.882855
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -45.514
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: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -438.302957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.302957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.302957 (E_RNA)
where:
Base-Base interactions energy: -295.843
where: short stacking energy: -138.163
Base-Backbone interact. energy: -0.260
local terms energy: -142.199941
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -36.678
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: 121
Temperature: 1.050000
Total energy: -472.575884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.575884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.575884 (E_RNA)
where:
Base-Base interactions energy: -305.298
where: short stacking energy: -150.893
Base-Backbone interact. energy: -0.306
local terms energy: -166.972077
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -429.291583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.291583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.291583 (E_RNA)
where:
Base-Base interactions energy: -293.124
where: short stacking energy: -133.258
Base-Backbone interact. energy: -0.343
local terms energy: -135.824221
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -36.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -427.001440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.001440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.001440 (E_RNA)
where:
Base-Base interactions energy: -282.258
where: short stacking energy: -117.266
Base-Backbone interact. energy: -0.101
local terms energy: -144.643064
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -28.549
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -42.910
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: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -168.722909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.722909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.722909 (E_RNA)
where:
Base-Base interactions energy: -67.840
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.883
local terms energy: -100.000507
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -14.641
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: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -179.588588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.588588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.588588 (E_RNA)
where:
Base-Base interactions energy: -71.604
where: short stacking energy: -55.737
Base-Backbone interact. energy: -2.586
local terms energy: -105.398726
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -145.964971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.964971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.964971 (E_RNA)
where:
Base-Base interactions energy: -48.758
where: short stacking energy: -43.792
Base-Backbone interact. energy: -1.404
local terms energy: -95.802806
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -146.497508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.497508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.497508 (E_RNA)
where:
Base-Base interactions energy: -47.952
where: short stacking energy: -33.556
Base-Backbone interact. energy: 2.454
local terms energy: -100.999364
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -543.126068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.126068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.126068 (E_RNA)
where:
Base-Base interactions energy: -367.442
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.396
local terms energy: -175.287517
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -44.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -509.280356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.280356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.280356 (E_RNA)
where:
Base-Base interactions energy: -345.075
where: short stacking energy: -146.497
Base-Backbone interact. energy: -0.589
local terms energy: -163.616720
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -45.182
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: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -452.071523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.071523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.071523 (E_RNA)
where:
Base-Base interactions energy: -303.313
where: short stacking energy: -135.419
Base-Backbone interact. energy: -0.535
local terms energy: -148.222799
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -40.977
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: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -482.769871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.769871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.769871 (E_RNA)
where:
Base-Base interactions energy: -320.296
where: short stacking energy: -161.390
Base-Backbone interact. energy: -0.062
local terms energy: -162.411278
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -53.532
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -445.390336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.390336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.390336 (E_RNA)
where:
Base-Base interactions energy: -291.455
where: short stacking energy: -130.222
Base-Backbone interact. energy: 1.093
local terms energy: -155.028971
where:
bonds (distance) C4'-P energy: -29.207
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -425.594580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.594580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.594580 (E_RNA)
where:
Base-Base interactions energy: -290.929
where: short stacking energy: -123.114
Base-Backbone interact. energy: 0.035
local terms energy: -134.700781
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -26.271
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: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -198.479720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.479720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.479720 (E_RNA)
where:
Base-Base interactions energy: -76.597
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.055
local terms energy: -121.827923
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -26.068
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -162.694193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.694193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.694193 (E_RNA)
where:
Base-Base interactions energy: -61.937
where: short stacking energy: -52.295
Base-Backbone interact. energy: 0.940
local terms energy: -101.697325
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -150.135735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.135735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.135735 (E_RNA)
where:
Base-Base interactions energy: -41.945
where: short stacking energy: -37.228
Base-Backbone interact. energy: 0.631
local terms energy: -108.821276
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -144.763357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.763357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.763357 (E_RNA)
where:
Base-Base interactions energy: -52.665
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.007
local terms energy: -92.090631
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -527.244836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.244836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.244836 (E_RNA)
where:
Base-Base interactions energy: -359.754
where: short stacking energy: -153.626
Base-Backbone interact. energy: 1.066
local terms energy: -168.556250
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -46.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -525.968520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.968520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.968520 (E_RNA)
where:
Base-Base interactions energy: -359.609
where: short stacking energy: -149.176
Base-Backbone interact. energy: 0.025
local terms energy: -166.385144
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -45.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -449.798939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.798939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.798939 (E_RNA)
where:
Base-Base interactions energy: -301.939
where: short stacking energy: -140.130
Base-Backbone interact. energy: -0.219
local terms energy: -147.640619
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -458.410084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.410084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.410084 (E_RNA)
where:
Base-Base interactions energy: -309.228
where: short stacking energy: -136.393
Base-Backbone interact. energy: -1.159
local terms energy: -148.022918
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -42.624
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -468.307637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.307637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.307637 (E_RNA)
where:
Base-Base interactions energy: -309.975
where: short stacking energy: -155.892
Base-Backbone interact. energy: -0.612
local terms energy: -157.719867
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -49.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -434.874234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.874234 (E_RNA)
where:
Base-Base interactions energy: -293.956
where: short stacking energy: -127.574
Base-Backbone interact. energy: -0.739
local terms energy: -140.179174
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -34.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -178.241476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.241476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.241476 (E_RNA)
where:
Base-Base interactions energy: -73.373
where: short stacking energy: -52.863
Base-Backbone interact. energy: 0.416
local terms energy: -105.283781
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -35.012
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -11.747
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: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -153.444633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.444633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.444633 (E_RNA)
where:
Base-Base interactions energy: -61.549
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.966
local terms energy: -90.928945
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -7.259
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: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -173.953189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.953189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.953189 (E_RNA)
where:
Base-Base interactions energy: -83.220
where: short stacking energy: -51.120
Base-Backbone interact. energy: 2.000
local terms energy: -92.733667
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -2.266
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: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -134.255479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.255479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.255479 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.231
local terms energy: -94.459959
where:
bonds (distance) C4'-P energy: -32.041
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: 7.915
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: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -525.211890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.211890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.211890 (E_RNA)
where:
Base-Base interactions energy: -360.024
where: short stacking energy: -156.329
Base-Backbone interact. energy: -0.310
local terms energy: -164.877593
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -32.183
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -504.814379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.814379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.814379 (E_RNA)
where:
Base-Base interactions energy: -352.075
where: short stacking energy: -155.197
Base-Backbone interact. energy: -0.842
local terms energy: -151.896670
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -46.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -467.443470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.443470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.443470 (E_RNA)
where:
Base-Base interactions energy: -311.685
where: short stacking energy: -138.718
Base-Backbone interact. energy: -0.893
local terms energy: -154.865592
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -45.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -450.764202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.764202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.764202 (E_RNA)
where:
Base-Base interactions energy: -292.863
where: short stacking energy: -123.250
Base-Backbone interact. energy: -0.006
local terms energy: -157.895529
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -466.814145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.814145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.814145 (E_RNA)
where:
Base-Base interactions energy: -327.527
where: short stacking energy: -131.044
Base-Backbone interact. energy: -0.309
local terms energy: -138.978566
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -38.572
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -442.273850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.273850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.273850 (E_RNA)
where:
Base-Base interactions energy: -288.899
where: short stacking energy: -143.507
Base-Backbone interact. energy: -1.710
local terms energy: -151.664156
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -46.809
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: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -163.910595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.910595 (E_RNA)
where:
Base-Base interactions energy: -66.067
where: short stacking energy: -51.664
Base-Backbone interact. energy: 0.348
local terms energy: -98.192110
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -198.065775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.065775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.065775 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -42.802
Base-Backbone interact. energy: -3.532
local terms energy: -124.827038
where:
bonds (distance) C4'-P energy: -30.298
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -24.987
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -155.671134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.671134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.671134 (E_RNA)
where:
Base-Base interactions energy: -57.872
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.642
local terms energy: -97.157359
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -149.835800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.835800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.835800 (E_RNA)
where:
Base-Base interactions energy: -61.096
where: short stacking energy: -45.238
Base-Backbone interact. energy: 0.593
local terms energy: -89.333146
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -527.602116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.602116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.602116 (E_RNA)
where:
Base-Base interactions energy: -356.474
where: short stacking energy: -155.187
Base-Backbone interact. energy: -0.167
local terms energy: -170.961723
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -45.878
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: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -502.834773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.834773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.834773 (E_RNA)
where:
Base-Base interactions energy: -355.173
where: short stacking energy: -154.380
Base-Backbone interact. energy: -0.168
local terms energy: -147.493247
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -44.115
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: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -460.266691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.266691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.266691 (E_RNA)
where:
Base-Base interactions energy: -304.438
where: short stacking energy: -132.572
Base-Backbone interact. energy: 0.385
local terms energy: -156.213483
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -40.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -468.332599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.332599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.332599 (E_RNA)
where:
Base-Base interactions energy: -326.099
where: short stacking energy: -138.919
Base-Backbone interact. energy: -0.431
local terms energy: -141.803173
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -37.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -454.607168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.607168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.607168 (E_RNA)
where:
Base-Base interactions energy: -318.527
where: short stacking energy: -129.147
Base-Backbone interact. energy: -1.031
local terms energy: -135.048384
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -39.741
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -444.504192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.504192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.504192 (E_RNA)
where:
Base-Base interactions energy: -284.768
where: short stacking energy: -137.628
Base-Backbone interact. energy: -0.994
local terms energy: -158.742418
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -178.662275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662275 (E_RNA)
where:
Base-Base interactions energy: -82.949
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.365
local terms energy: -95.347839
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: 3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -149.314108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.314108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.314108 (E_RNA)
where:
Base-Base interactions energy: -62.785
where: short stacking energy: -49.392
Base-Backbone interact. energy: -0.469
local terms energy: -86.059953
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -0.552
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: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -144.759809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.759809 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.944
local terms energy: -90.885460
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -133.736681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.736681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.736681 (E_RNA)
where:
Base-Base interactions energy: -50.626
where: short stacking energy: -45.762
Base-Backbone interact. energy: -1.440
local terms energy: -81.670868
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -529.599941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.599941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.599941 (E_RNA)
where:
Base-Base interactions energy: -348.721
where: short stacking energy: -154.314
Base-Backbone interact. energy: -1.644
local terms energy: -179.234441
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -50.231
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -525.551982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.551982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.551982 (E_RNA)
where:
Base-Base interactions energy: -359.409
where: short stacking energy: -149.320
Base-Backbone interact. energy: -1.136
local terms energy: -165.007045
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -46.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -452.970851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.970851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.970851 (E_RNA)
where:
Base-Base interactions energy: -287.606
where: short stacking energy: -119.923
Base-Backbone interact. energy: -0.664
local terms energy: -164.700814
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -43.702
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: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -460.565833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.565833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.565833 (E_RNA)
where:
Base-Base interactions energy: -310.497
where: short stacking energy: -133.689
Base-Backbone interact. energy: -0.666
local terms energy: -149.402019
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -39.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -453.981912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.981912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.981912 (E_RNA)
where:
Base-Base interactions energy: -309.525
where: short stacking energy: -136.346
Base-Backbone interact. energy: -0.048
local terms energy: -144.409307
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -40.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -428.221435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.221435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.221435 (E_RNA)
where:
Base-Base interactions energy: -278.548
where: short stacking energy: -126.467
Base-Backbone interact. energy: -0.755
local terms energy: -148.918409
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -42.040
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: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -164.705746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705746 (E_RNA)
where:
Base-Base interactions energy: -57.957
where: short stacking energy: -47.611
Base-Backbone interact. energy: -1.150
local terms energy: -105.598444
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -171.355350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.355350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.355350 (E_RNA)
where:
Base-Base interactions energy: -70.447
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.273
local terms energy: -100.635362
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -154.208441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.208441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.208441 (E_RNA)
where:
Base-Base interactions energy: -65.877
where: short stacking energy: -38.893
Base-Backbone interact. energy: -0.922
local terms energy: -87.409673
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -133.393964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.393964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.393964 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -35.563
Base-Backbone interact. energy: -0.470
local terms energy: -96.952546
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -19.204
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: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -524.588383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.588383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.588383 (E_RNA)
where:
Base-Base interactions energy: -359.376
where: short stacking energy: -152.480
Base-Backbone interact. energy: -0.177
local terms energy: -165.035364
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -35.457
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -48.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -522.385315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.385315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.385315 (E_RNA)
where:
Base-Base interactions energy: -357.686
where: short stacking energy: -148.467
Base-Backbone interact. energy: -0.775
local terms energy: -163.924642
where:
bonds (distance) C4'-P energy: -27.421
bonds (distance) P-C4' energy: -32.573
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -45.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -459.581238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.581238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.581238 (E_RNA)
where:
Base-Base interactions energy: -303.301
where: short stacking energy: -135.263
Base-Backbone interact. energy: -0.443
local terms energy: -155.837130
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -33.728
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -38.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -463.910258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.910258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.910258 (E_RNA)
where:
Base-Base interactions energy: -309.706
where: short stacking energy: -127.621
Base-Backbone interact. energy: -0.387
local terms energy: -153.817533
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -38.110
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -435.715184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.715184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.715184 (E_RNA)
where:
Base-Base interactions energy: -281.294
where: short stacking energy: -131.727
Base-Backbone interact. energy: 1.096
local terms energy: -155.517640
where:
bonds (distance) C4'-P energy: -29.692
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -43.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -407.908924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.908924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.908924 (E_RNA)
where:
Base-Base interactions energy: -262.558
where: short stacking energy: -121.861
Base-Backbone interact. energy: 1.940
local terms energy: -147.290984
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -30.815
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -40.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -176.507207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507207 (E_RNA)
where:
Base-Base interactions energy: -62.525
where: short stacking energy: -52.984
Base-Backbone interact. energy: -0.327
local terms energy: -113.655563
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -167.345199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.345199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.345199 (E_RNA)
where:
Base-Base interactions energy: -60.747
where: short stacking energy: -54.081
Base-Backbone interact. energy: 0.959
local terms energy: -107.557693
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -17.521
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: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -151.211494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.211494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.211494 (E_RNA)
where:
Base-Base interactions energy: -50.445
where: short stacking energy: -49.657
Base-Backbone interact. energy: 0.162
local terms energy: -100.929268
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -131.852563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.852563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.852563 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.826
local terms energy: -99.296247
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: 6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -529.323927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.323927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.323927 (E_RNA)
where:
Base-Base interactions energy: -372.331
where: short stacking energy: -148.660
Base-Backbone interact. energy: -0.021
local terms energy: -156.971964
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -49.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -516.309680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.309680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.309680 (E_RNA)
where:
Base-Base interactions energy: -345.271
where: short stacking energy: -145.446
Base-Backbone interact. energy: -1.732
local terms energy: -169.306297
where:
bonds (distance) C4'-P energy: -34.654
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -42.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -482.676351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.676351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.676351 (E_RNA)
where:
Base-Base interactions energy: -328.283
where: short stacking energy: -140.480
Base-Backbone interact. energy: -0.289
local terms energy: -154.104755
where:
bonds (distance) C4'-P energy: -31.102
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -33.900
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -43.584
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: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -459.692962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.692962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.692962 (E_RNA)
where:
Base-Base interactions energy: -309.064
where: short stacking energy: -122.136
Base-Backbone interact. energy: -0.052
local terms energy: -150.577081
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -40.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -417.238400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.238400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.238400 (E_RNA)
where:
Base-Base interactions energy: -272.810
where: short stacking energy: -126.203
Base-Backbone interact. energy: -0.425
local terms energy: -144.003322
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -38.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -416.385290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.385290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.385290 (E_RNA)
where:
Base-Base interactions energy: -274.859
where: short stacking energy: -114.217
Base-Backbone interact. energy: 2.964
local terms energy: -144.491007
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -43.531
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: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -154.098975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.098975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.098975 (E_RNA)
where:
Base-Base interactions energy: -61.435
where: short stacking energy: -47.365
Base-Backbone interact. energy: 0.994
local terms energy: -93.658012
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -148.779750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.779750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.779750 (E_RNA)
where:
Base-Base interactions energy: -46.536
where: short stacking energy: -43.007
Base-Backbone interact. energy: -0.380
local terms energy: -101.864183
where:
bonds (distance) C4'-P energy: -32.162
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -144.200321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.200321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.200321 (E_RNA)
where:
Base-Base interactions energy: -52.985
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.259
local terms energy: -90.956700
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -3.680
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: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -159.004788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.004788 (E_RNA)
where:
Base-Base interactions energy: -54.868
where: short stacking energy: -50.033
Base-Backbone interact. energy: -0.872
local terms energy: -103.264103
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -524.778034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.778034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.778034 (E_RNA)
where:
Base-Base interactions energy: -345.507
where: short stacking energy: -150.637
Base-Backbone interact. energy: -0.151
local terms energy: -179.120695
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -48.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -521.375401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.375401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.375401 (E_RNA)
where:
Base-Base interactions energy: -348.660
where: short stacking energy: -153.521
Base-Backbone interact. energy: 0.449
local terms energy: -173.164388
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -27.062
tors. eta vs tors. theta energy: -46.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -470.124591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.124591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.124591 (E_RNA)
where:
Base-Base interactions energy: -309.883
where: short stacking energy: -135.374
Base-Backbone interact. energy: -0.201
local terms energy: -160.040261
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -39.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -476.239009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.239009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.239009 (E_RNA)
where:
Base-Base interactions energy: -328.885
where: short stacking energy: -140.742
Base-Backbone interact. energy: -0.297
local terms energy: -147.057516
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -41.790
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -453.771562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.771562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.771562 (E_RNA)
where:
Base-Base interactions energy: -311.632
where: short stacking energy: -154.589
Base-Backbone interact. energy: -0.735
local terms energy: -141.404702
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -34.185
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -43.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -425.040220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.040220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.040220 (E_RNA)
where:
Base-Base interactions energy: -284.924
where: short stacking energy: -122.377
Base-Backbone interact. energy: -0.314
local terms energy: -139.802306
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -33.880
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -173.117968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.117968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.117968 (E_RNA)
where:
Base-Base interactions energy: -60.106
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.084
local terms energy: -112.928020
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -11.955
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: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -158.010228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.010228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.010228 (E_RNA)
where:
Base-Base interactions energy: -56.739
where: short stacking energy: -44.137
Base-Backbone interact. energy: -0.635
local terms energy: -100.635746
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -149.330771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.330771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.330771 (E_RNA)
where:
Base-Base interactions energy: -57.021
where: short stacking energy: -34.508
Base-Backbone interact. energy: -0.534
local terms energy: -91.776222
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -137.785661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.785661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.785661 (E_RNA)
where:
Base-Base interactions energy: -51.135
where: short stacking energy: -45.703
Base-Backbone interact. energy: -0.538
local terms energy: -86.112626
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -513.841598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.841598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.841598 (E_RNA)
where:
Base-Base interactions energy: -354.212
where: short stacking energy: -143.169
Base-Backbone interact. energy: -0.170
local terms energy: -159.459183
where:
bonds (distance) C4'-P energy: -33.300
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -43.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -524.458413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.458413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.458413 (E_RNA)
where:
Base-Base interactions energy: -346.094
where: short stacking energy: -151.902
Base-Backbone interact. energy: -0.588
local terms energy: -177.776347
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -50.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -443.255872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.255872 (E_RNA)
where:
Base-Base interactions energy: -299.497
where: short stacking energy: -125.524
Base-Backbone interact. energy: -1.134
local terms energy: -142.624817
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -33.831
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: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -469.072511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.072511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.072511 (E_RNA)
where:
Base-Base interactions energy: -330.583
where: short stacking energy: -133.805
Base-Backbone interact. energy: -0.068
local terms energy: -138.421642
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -37.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -429.445206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.445206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.445206 (E_RNA)
where:
Base-Base interactions energy: -277.813
where: short stacking energy: -122.315
Base-Backbone interact. energy: -0.165
local terms energy: -151.467211
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -42.230
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: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -455.912423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.912423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.912423 (E_RNA)
where:
Base-Base interactions energy: -309.174
where: short stacking energy: -149.163
Base-Backbone interact. energy: 0.320
local terms energy: -147.058447
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -43.034
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: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -168.525645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.525645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.525645 (E_RNA)
where:
Base-Base interactions energy: -72.378
where: short stacking energy: -37.471
Base-Backbone interact. energy: 0.589
local terms energy: -96.737029
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: 9.245
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: 130
Temperature: 1.250000
Total energy: -157.923179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.923179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.923179 (E_RNA)
where:
Base-Base interactions energy: -62.111
where: short stacking energy: -46.441
Base-Backbone interact. energy: 0.605
local terms energy: -96.417434
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -142.894698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.894698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.894698 (E_RNA)
where:
Base-Base interactions energy: -48.297
where: short stacking energy: -40.897
Base-Backbone interact. energy: 0.586
local terms energy: -95.183614
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -139.705342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.705342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.705342 (E_RNA)
where:
Base-Base interactions energy: -52.438
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.355
local terms energy: -86.912691
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -521.396844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.396844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.396844 (E_RNA)
where:
Base-Base interactions energy: -354.546
where: short stacking energy: -152.670
Base-Backbone interact. energy: -0.230
local terms energy: -166.620500
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -38.475
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: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -524.028440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.028440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.028440 (E_RNA)
where:
Base-Base interactions energy: -352.292
where: short stacking energy: -154.032
Base-Backbone interact. energy: -0.257
local terms energy: -171.479250
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -38.337
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -49.334
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: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -449.801672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.801672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.801672 (E_RNA)
where:
Base-Base interactions energy: -302.046
where: short stacking energy: -136.209
Base-Backbone interact. energy: -0.302
local terms energy: -147.454384
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -39.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -469.334617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.334617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.334617 (E_RNA)
where:
Base-Base interactions energy: -318.074
where: short stacking energy: -125.520
Base-Backbone interact. energy: -0.862
local terms energy: -150.399068
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -39.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -450.176778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.176778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.176778 (E_RNA)
where:
Base-Base interactions energy: -298.179
where: short stacking energy: -123.912
Base-Backbone interact. energy: -0.638
local terms energy: -151.360045
where:
bonds (distance) C4'-P energy: -33.836
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -445.314815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.314815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.314815 (E_RNA)
where:
Base-Base interactions energy: -302.906
where: short stacking energy: -143.185
Base-Backbone interact. energy: -0.376
local terms energy: -142.033036
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -172.559266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.559266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.559266 (E_RNA)
where:
Base-Base interactions energy: -69.926
where: short stacking energy: -44.686
Base-Backbone interact. energy: 0.318
local terms energy: -102.951696
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -167.511864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.511864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.511864 (E_RNA)
where:
Base-Base interactions energy: -63.754
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.930
local terms energy: -102.827983
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -154.418515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.418515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.418515 (E_RNA)
where:
Base-Base interactions energy: -56.916
where: short stacking energy: -51.251
Base-Backbone interact. energy: -0.333
local terms energy: -97.169759
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -1.616
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: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -141.019044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.019044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.019044 (E_RNA)
where:
Base-Base interactions energy: -65.198
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.449
local terms energy: -75.372080
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -16.101
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: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -534.859047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.859047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.859047 (E_RNA)
where:
Base-Base interactions energy: -359.344
where: short stacking energy: -152.146
Base-Backbone interact. energy: -0.043
local terms energy: -175.472392
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -517.753808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.753808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.753808 (E_RNA)
where:
Base-Base interactions energy: -351.140
where: short stacking energy: -154.267
Base-Backbone interact. energy: -0.563
local terms energy: -166.050748
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -48.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -463.004670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.004670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.004670 (E_RNA)
where:
Base-Base interactions energy: -311.825
where: short stacking energy: -127.020
Base-Backbone interact. energy: -0.797
local terms energy: -150.382401
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -34.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -462.973240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.973240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.973240 (E_RNA)
where:
Base-Base interactions energy: -324.332
where: short stacking energy: -134.611
Base-Backbone interact. energy: -0.095
local terms energy: -138.546505
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -30.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -446.420827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.420827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.420827 (E_RNA)
where:
Base-Base interactions energy: -296.005
where: short stacking energy: -111.230
Base-Backbone interact. energy: -0.441
local terms energy: -149.974516
where:
bonds (distance) C4'-P energy: -33.375
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -426.342295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.342295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.342295 (E_RNA)
where:
Base-Base interactions energy: -289.266
where: short stacking energy: -130.617
Base-Backbone interact. energy: -0.154
local terms energy: -136.922274
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -156.975625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.975625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.975625 (E_RNA)
where:
Base-Base interactions energy: -63.255
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.855
local terms energy: -92.866170
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -6.233
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: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -165.571119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.571119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.571119 (E_RNA)
where:
Base-Base interactions energy: -61.099
where: short stacking energy: -45.812
Base-Backbone interact. energy: -0.503
local terms energy: -103.969508
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -2.400
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: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -189.422052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.422052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.422052 (E_RNA)
where:
Base-Base interactions energy: -101.188
where: short stacking energy: -46.011
Base-Backbone interact. energy: 0.279
local terms energy: -88.512660
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -135.480505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.480505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.480505 (E_RNA)
where:
Base-Base interactions energy: -43.035
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.365
local terms energy: -92.081019
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -525.780329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.780329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.780329 (E_RNA)
where:
Base-Base interactions energy: -355.269
where: short stacking energy: -161.172
Base-Backbone interact. energy: -0.049
local terms energy: -170.462027
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -25.561
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -520.006620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.006620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.006620 (E_RNA)
where:
Base-Base interactions energy: -348.505
where: short stacking energy: -147.759
Base-Backbone interact. energy: 0.417
local terms energy: -171.919395
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -38.021
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -49.816
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: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -461.712536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.712536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.712536 (E_RNA)
where:
Base-Base interactions energy: -315.423
where: short stacking energy: -143.398
Base-Backbone interact. energy: -0.689
local terms energy: -145.599981
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -19.615
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: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -472.988964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.988964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.988964 (E_RNA)
where:
Base-Base interactions energy: -312.426
where: short stacking energy: -142.528
Base-Backbone interact. energy: -0.041
local terms energy: -160.521999
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -44.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -453.153628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.153628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.153628 (E_RNA)
where:
Base-Base interactions energy: -307.316
where: short stacking energy: -119.498
Base-Backbone interact. energy: -0.102
local terms energy: -145.735241
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -20.562
tors. eta vs tors. theta energy: -33.540
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: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -428.044154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.044154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.044154 (E_RNA)
where:
Base-Base interactions energy: -288.611
where: short stacking energy: -136.069
Base-Backbone interact. energy: -0.075
local terms energy: -139.357885
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -153.939622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.939622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.939622 (E_RNA)
where:
Base-Base interactions energy: -58.913
where: short stacking energy: -57.002
Base-Backbone interact. energy: 1.224
local terms energy: -96.251128
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -165.206596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.206596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.206596 (E_RNA)
where:
Base-Base interactions energy: -65.980
where: short stacking energy: -49.771
Base-Backbone interact. energy: -0.432
local terms energy: -98.793968
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -145.379515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.379515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.379515 (E_RNA)
where:
Base-Base interactions energy: -54.806
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.706
local terms energy: -89.867764
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: 7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -144.690529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.690529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.690529 (E_RNA)
where:
Base-Base interactions energy: -48.926
where: short stacking energy: -46.018
Base-Backbone interact. energy: 1.203
local terms energy: -96.967539
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -28.209
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: 1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -525.873117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.873117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.873117 (E_RNA)
where:
Base-Base interactions energy: -359.529
where: short stacking energy: -148.684
Base-Backbone interact. energy: -0.628
local terms energy: -165.715990
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -31.418
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -524.196641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.196641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.196641 (E_RNA)
where:
Base-Base interactions energy: -366.741
where: short stacking energy: -149.320
Base-Backbone interact. energy: -0.681
local terms energy: -156.775259
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -45.245
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -467.560455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.560455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.560455 (E_RNA)
where:
Base-Base interactions energy: -319.084
where: short stacking energy: -127.666
Base-Backbone interact. energy: 1.229
local terms energy: -149.704775
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -449.369989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.369989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.369989 (E_RNA)
where:
Base-Base interactions energy: -317.027
where: short stacking energy: -136.039
Base-Backbone interact. energy: -0.388
local terms energy: -131.955022
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -436.491372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.491372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.491372 (E_RNA)
where:
Base-Base interactions energy: -289.048
where: short stacking energy: -113.788
Base-Backbone interact. energy: -0.524
local terms energy: -146.919793
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -416.842103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.842103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.842103 (E_RNA)
where:
Base-Base interactions energy: -280.659
where: short stacking energy: -110.545
Base-Backbone interact. energy: -0.390
local terms energy: -135.793108
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -20.982
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: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -156.857992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.857992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.857992 (E_RNA)
where:
Base-Base interactions energy: -48.243
where: short stacking energy: -41.178
Base-Backbone interact. energy: -0.361
local terms energy: -108.253922
where:
bonds (distance) C4'-P energy: -28.465
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -142.849586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.849586 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.941
local terms energy: -108.154902
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -23.836
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: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -157.141504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.141504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.141504 (E_RNA)
where:
Base-Base interactions energy: -63.371
where: short stacking energy: -37.759
Base-Backbone interact. energy: -0.590
local terms energy: -93.180194
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -147.394684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.394684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.394684 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -29.763
Base-Backbone interact. energy: -0.444
local terms energy: -98.826305
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -35.565
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -534.293761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.293761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.293761 (E_RNA)
where:
Base-Base interactions energy: -365.191
where: short stacking energy: -149.188
Base-Backbone interact. energy: -0.809
local terms energy: -168.293477
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -50.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -512.880667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.880667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.880667 (E_RNA)
where:
Base-Base interactions energy: -364.950
where: short stacking energy: -152.980
Base-Backbone interact. energy: -0.035
local terms energy: -147.894966
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -41.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -460.781806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.781806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.781806 (E_RNA)
where:
Base-Base interactions energy: -309.162
where: short stacking energy: -138.539
Base-Backbone interact. energy: -1.552
local terms energy: -150.066813
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -34.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -460.790981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.790981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.790981 (E_RNA)
where:
Base-Base interactions energy: -305.696
where: short stacking energy: -137.506
Base-Backbone interact. energy: -0.661
local terms energy: -154.433303
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -43.940
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: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -448.956991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.956991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.956991 (E_RNA)
where:
Base-Base interactions energy: -313.033
where: short stacking energy: -140.535
Base-Backbone interact. energy: -0.205
local terms energy: -135.718919
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -37.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -410.455359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.455359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.455359 (E_RNA)
where:
Base-Base interactions energy: -279.339
where: short stacking energy: -116.701
Base-Backbone interact. energy: -0.473
local terms energy: -130.642831
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -32.767
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -36.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -208.725931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.725931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.725931 (E_RNA)
where:
Base-Base interactions energy: -103.011
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.742
local terms energy: -104.973158
where:
bonds (distance) C4'-P energy: -33.116
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -152.600636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.600636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.600636 (E_RNA)
where:
Base-Base interactions energy: -62.432
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.295
local terms energy: -89.873480
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -148.380897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.380897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.380897 (E_RNA)
where:
Base-Base interactions energy: -70.285
where: short stacking energy: -40.724
Base-Backbone interact. energy: -0.641
local terms energy: -77.455599
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -133.985241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.985241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.985241 (E_RNA)
where:
Base-Base interactions energy: -63.017
where: short stacking energy: -46.249
Base-Backbone interact. energy: 4.868
local terms energy: -75.836277
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: 10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -522.809447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.809447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.809447 (E_RNA)
where:
Base-Base interactions energy: -355.980
where: short stacking energy: -150.950
Base-Backbone interact. energy: -0.054
local terms energy: -166.775719
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -46.636
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: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -523.912738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.912738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.912738 (E_RNA)
where:
Base-Base interactions energy: -357.270
where: short stacking energy: -145.239
Base-Backbone interact. energy: -1.160
local terms energy: -165.483122
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -43.071
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: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -463.773362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.773362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.773362 (E_RNA)
where:
Base-Base interactions energy: -309.403
where: short stacking energy: -146.634
Base-Backbone interact. energy: -0.002
local terms energy: -154.367851
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -465.643914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.643914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.643914 (E_RNA)
where:
Base-Base interactions energy: -321.480
where: short stacking energy: -142.680
Base-Backbone interact. energy: 1.179
local terms energy: -145.342390
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -40.995
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: 136
Temperature: 1.100000
Total energy: -438.262869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.262869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.262869 (E_RNA)
where:
Base-Base interactions energy: -295.465
where: short stacking energy: -134.796
Base-Backbone interact. energy: -1.176
local terms energy: -141.622240
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -32.924
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -45.944
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: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -441.992045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.992045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.992045 (E_RNA)
where:
Base-Base interactions energy: -294.246
where: short stacking energy: -130.224
Base-Backbone interact. energy: -0.792
local terms energy: -146.953445
where:
bonds (distance) C4'-P energy: -31.205
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -36.379
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: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -182.725902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725902 (E_RNA)
where:
Base-Base interactions energy: -75.752
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.256
local terms energy: -106.718000
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -167.182052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.182052 (E_RNA)
where:
Base-Base interactions energy: -68.466
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.025
local terms energy: -98.690413
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -8.378
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: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -150.465226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.465226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.465226 (E_RNA)
where:
Base-Base interactions energy: -73.538
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.988
local terms energy: -75.939088
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -159.349523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.349523 (E_RNA)
where:
Base-Base interactions energy: -69.255
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.916
local terms energy: -89.178717
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -532.095177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.095177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.095177 (E_RNA)
where:
Base-Base interactions energy: -362.652
where: short stacking energy: -158.101
Base-Backbone interact. energy: -1.059
local terms energy: -168.384371
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -46.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -515.337332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.337332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.337332 (E_RNA)
where:
Base-Base interactions energy: -349.847
where: short stacking energy: -154.721
Base-Backbone interact. energy: -0.581
local terms energy: -164.909436
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -35.380
flat angles P-C4'-P energy: -24.092
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -474.124849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.124849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.124849 (E_RNA)
where:
Base-Base interactions energy: -321.385
where: short stacking energy: -128.854
Base-Backbone interact. energy: -0.217
local terms energy: -152.523417
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -471.719744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.719744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.719744 (E_RNA)
where:
Base-Base interactions energy: -317.758
where: short stacking energy: -145.587
Base-Backbone interact. energy: -0.679
local terms energy: -153.283054
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -49.888
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: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -438.634706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.634706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.634706 (E_RNA)
where:
Base-Base interactions energy: -296.555
where: short stacking energy: -126.300
Base-Backbone interact. energy: -0.669
local terms energy: -141.410584
where:
bonds (distance) C4'-P energy: -29.276
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -32.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -451.901369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.901369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.901369 (E_RNA)
where:
Base-Base interactions energy: -300.033
where: short stacking energy: -128.948
Base-Backbone interact. energy: -0.673
local terms energy: -151.195546
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -45.658
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: 137
Temperature: 1.200000
Total energy: -189.239305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.239305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.239305 (E_RNA)
where:
Base-Base interactions energy: -93.743
where: short stacking energy: -67.571
Base-Backbone interact. energy: -0.370
local terms energy: -95.126706
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -10.726
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: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -177.842466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.842466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842466 (E_RNA)
where:
Base-Base interactions energy: -74.079
where: short stacking energy: -39.259
Base-Backbone interact. energy: -0.508
local terms energy: -103.256123
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -154.141430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.141430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.141430 (E_RNA)
where:
Base-Base interactions energy: -61.059
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.138
local terms energy: -92.945095
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -136.044399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.044399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.044399 (E_RNA)
where:
Base-Base interactions energy: -55.572
where: short stacking energy: -42.000
Base-Backbone interact. energy: -0.654
local terms energy: -79.817963
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: 1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -523.755001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.755001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.755001 (E_RNA)
where:
Base-Base interactions energy: -355.389
where: short stacking energy: -157.166
Base-Backbone interact. energy: -0.454
local terms energy: -167.911484
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -30.152
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -45.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -515.063781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.063781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.063781 (E_RNA)
where:
Base-Base interactions energy: -349.114
where: short stacking energy: -148.638
Base-Backbone interact. energy: -0.319
local terms energy: -165.630380
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -45.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -471.358688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.358688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.358688 (E_RNA)
where:
Base-Base interactions energy: -305.819
where: short stacking energy: -139.552
Base-Backbone interact. energy: -0.227
local terms energy: -165.312841
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -45.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -443.783403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.783403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.783403 (E_RNA)
where:
Base-Base interactions energy: -288.386
where: short stacking energy: -132.383
Base-Backbone interact. energy: -0.051
local terms energy: -155.346245
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -39.470
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: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -452.414845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.414845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.414845 (E_RNA)
where:
Base-Base interactions energy: -303.940
where: short stacking energy: -139.073
Base-Backbone interact. energy: -0.185
local terms energy: -148.289887
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -42.796
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: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -400.425341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.425341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.425341 (E_RNA)
where:
Base-Base interactions energy: -259.880
where: short stacking energy: -121.211
Base-Backbone interact. energy: -0.190
local terms energy: -140.355289
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -17.615
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: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -262.115281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.115281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.115281 (E_RNA)
where:
Base-Base interactions energy: -147.609
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.662
local terms energy: -113.844412
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -167.181847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.181847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.181847 (E_RNA)
where:
Base-Base interactions energy: -71.037
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.955
local terms energy: -95.190031
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -167.456115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.456115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.456115 (E_RNA)
where:
Base-Base interactions energy: -70.295
where: short stacking energy: -64.560
Base-Backbone interact. energy: 0.896
local terms energy: -98.057290
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -137.043939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.043939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.043939 (E_RNA)
where:
Base-Base interactions energy: -49.786
where: short stacking energy: -38.288
Base-Backbone interact. energy: 0.121
local terms energy: -87.379046
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: 4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -530.281485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.281485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.281485 (E_RNA)
where:
Base-Base interactions energy: -362.227
where: short stacking energy: -151.064
Base-Backbone interact. energy: -0.440
local terms energy: -167.613837
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -33.669
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -44.914
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -521.098660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.098660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.098660 (E_RNA)
where:
Base-Base interactions energy: -351.747
where: short stacking energy: -159.400
Base-Backbone interact. energy: 0.015
local terms energy: -169.366998
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -52.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -484.799466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.799466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.799466 (E_RNA)
where:
Base-Base interactions energy: -317.685
where: short stacking energy: -144.002
Base-Backbone interact. energy: -0.285
local terms energy: -166.829344
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -46.447
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: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -437.380747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.380747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.380747 (E_RNA)
where:
Base-Base interactions energy: -289.687
where: short stacking energy: -127.901
Base-Backbone interact. energy: -3.031
local terms energy: -144.662817
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -41.056
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: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -459.913313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.913313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.913313 (E_RNA)
where:
Base-Base interactions energy: -308.002
where: short stacking energy: -128.850
Base-Backbone interact. energy: -0.169
local terms energy: -151.742620
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -35.688
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: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -431.736628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.736628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.736628 (E_RNA)
where:
Base-Base interactions energy: -292.455
where: short stacking energy: -128.866
Base-Backbone interact. energy: -1.650
local terms energy: -137.631372
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -33.224
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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -271.522733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.522733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.522733 (E_RNA)
where:
Base-Base interactions energy: -169.682
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.042
local terms energy: -101.798818
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -155.203399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.203399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.203399 (E_RNA)
where:
Base-Base interactions energy: -61.264
where: short stacking energy: -53.673
Base-Backbone interact. energy: 0.033
local terms energy: -93.972724
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -32.720
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -151.044003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.044003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044003 (E_RNA)
where:
Base-Base interactions energy: -62.083
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.320
local terms energy: -88.641070
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -13.876
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: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -152.294867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.294867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.294867 (E_RNA)
where:
Base-Base interactions energy: -66.494
where: short stacking energy: -49.006
Base-Backbone interact. energy: -0.593
local terms energy: -85.208510
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -16.760
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: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -519.309139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.309139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.309139 (E_RNA)
where:
Base-Base interactions energy: -355.493
where: short stacking energy: -152.539
Base-Backbone interact. energy: -0.012
local terms energy: -163.804376
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -41.955
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -522.298164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.298164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.298164 (E_RNA)
where:
Base-Base interactions energy: -356.606
where: short stacking energy: -151.815
Base-Backbone interact. energy: -1.205
local terms energy: -164.487930
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -457.565752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.565752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.565752 (E_RNA)
where:
Base-Base interactions energy: -311.315
where: short stacking energy: -139.215
Base-Backbone interact. energy: -0.070
local terms energy: -146.180433
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -464.910473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.910473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.910473 (E_RNA)
where:
Base-Base interactions energy: -307.802
where: short stacking energy: -147.820
Base-Backbone interact. energy: -0.124
local terms energy: -156.984285
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -34.163
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -44.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -455.834464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.834464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.834464 (E_RNA)
where:
Base-Base interactions energy: -313.548
where: short stacking energy: -133.948
Base-Backbone interact. energy: -0.023
local terms energy: -142.263090
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -34.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -436.184375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.184375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.184375 (E_RNA)
where:
Base-Base interactions energy: -293.031
where: short stacking energy: -120.536
Base-Backbone interact. energy: -0.389
local terms energy: -142.764365
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -34.884
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: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -235.343744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.343744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.343744 (E_RNA)
where:
Base-Base interactions energy: -125.697
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.801
local terms energy: -108.846543
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -179.121389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.121389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.121389 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.485
local terms energy: -95.398108
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -8.203
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: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -144.363092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.363092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.363092 (E_RNA)
where:
Base-Base interactions energy: -52.224
where: short stacking energy: -51.506
Base-Backbone interact. energy: 0.156
local terms energy: -92.295255
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -138.463722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.463722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.463722 (E_RNA)
where:
Base-Base interactions energy: -50.338
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.900
local terms energy: -87.225580
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -528.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.739316 (E_RNA)
where:
Base-Base interactions energy: -364.383
where: short stacking energy: -142.732
Base-Backbone interact. energy: -0.648
local terms energy: -163.708614
where:
bonds (distance) C4'-P energy: -33.067
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -526.116957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.116957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.116957 (E_RNA)
where:
Base-Base interactions energy: -365.685
where: short stacking energy: -151.310
Base-Backbone interact. energy: 0.221
local terms energy: -160.653066
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -48.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -468.819414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.819414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.819414 (E_RNA)
where:
Base-Base interactions energy: -311.683
where: short stacking energy: -137.023
Base-Backbone interact. energy: -0.225
local terms energy: -156.911340
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -466.005011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.005011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.005011 (E_RNA)
where:
Base-Base interactions energy: -321.335
where: short stacking energy: -136.430
Base-Backbone interact. energy: -0.040
local terms energy: -144.629187
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -38.213
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: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -445.856742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.856742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.856742 (E_RNA)
where:
Base-Base interactions energy: -299.151
where: short stacking energy: -136.947
Base-Backbone interact. energy: -0.422
local terms energy: -146.283368
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -33.054
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -37.880
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: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -430.155718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.155718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.155718 (E_RNA)
where:
Base-Base interactions energy: -285.774
where: short stacking energy: -124.866
Base-Backbone interact. energy: -0.267
local terms energy: -144.115593
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -36.928
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -260.258941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.258941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.258941 (E_RNA)
where:
Base-Base interactions energy: -141.901
where: short stacking energy: -77.965
Base-Backbone interact. energy: -0.318
local terms energy: -118.039888
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -159.031230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.031230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.031230 (E_RNA)
where:
Base-Base interactions energy: -67.444
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.165
local terms energy: -91.421784
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -26.225
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -153.355273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.355273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.355273 (E_RNA)
where:
Base-Base interactions energy: -65.720
where: short stacking energy: -38.029
Base-Backbone interact. energy: -1.471
local terms energy: -86.164106
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: 7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -141.407246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.407246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.407246 (E_RNA)
where:
Base-Base interactions energy: -59.114
where: short stacking energy: -49.762
Base-Backbone interact. energy: -1.092
local terms energy: -81.201661
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: 1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -532.261276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.261276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.261276 (E_RNA)
where:
Base-Base interactions energy: -371.442
where: short stacking energy: -157.065
Base-Backbone interact. energy: -0.134
local terms energy: -160.685428
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -44.911
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: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -528.375712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.375712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.375712 (E_RNA)
where:
Base-Base interactions energy: -361.653
where: short stacking energy: -147.446
Base-Backbone interact. energy: -0.657
local terms energy: -166.065959
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -45.386
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: 142
Temperature: 1.000000
Total energy: -471.156722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.156722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.156722 (E_RNA)
where:
Base-Base interactions energy: -319.859
where: short stacking energy: -136.426
Base-Backbone interact. energy: -0.135
local terms energy: -151.162992
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -443.924825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.924825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.924825 (E_RNA)
where:
Base-Base interactions energy: -292.611
where: short stacking energy: -130.564
Base-Backbone interact. energy: -0.033
local terms energy: -151.281173
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -38.709
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: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -451.827636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.827636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.827636 (E_RNA)
where:
Base-Base interactions energy: -290.567
where: short stacking energy: -125.601
Base-Backbone interact. energy: -1.610
local terms energy: -159.650469
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -39.244
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: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -447.411126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.411126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.411126 (E_RNA)
where:
Base-Base interactions energy: -292.520
where: short stacking energy: -137.368
Base-Backbone interact. energy: -0.664
local terms energy: -154.226821
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -292.507262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.507262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.507262 (E_RNA)
where:
Base-Base interactions energy: -171.819
where: short stacking energy: -94.690
Base-Backbone interact. energy: -0.922
local terms energy: -119.766013
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -207.588104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.588104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.588104 (E_RNA)
where:
Base-Base interactions energy: -97.952
where: short stacking energy: -58.568
Base-Backbone interact. energy: 0.227
local terms energy: -109.863099
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -26.771
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -147.762972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.762972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.762972 (E_RNA)
where:
Base-Base interactions energy: -73.305
where: short stacking energy: -48.610
Base-Backbone interact. energy: -1.181
local terms energy: -73.277746
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: 6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -151.668834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.668834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.668834 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.814
local terms energy: -93.511010
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -32.918
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -533.226134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.226134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.226134 (E_RNA)
where:
Base-Base interactions energy: -362.086
where: short stacking energy: -142.001
Base-Backbone interact. energy: -0.239
local terms energy: -170.900921
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -43.426
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: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -508.236118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.236118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.236118 (E_RNA)
where:
Base-Base interactions energy: -354.614
where: short stacking energy: -146.646
Base-Backbone interact. energy: -0.569
local terms energy: -153.053526
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -44.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -472.140350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.140350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.140350 (E_RNA)
where:
Base-Base interactions energy: -310.872
where: short stacking energy: -138.014
Base-Backbone interact. energy: -0.795
local terms energy: -160.473188
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -35.487
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -449.919213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.919213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.919213 (E_RNA)
where:
Base-Base interactions energy: -298.726
where: short stacking energy: -130.943
Base-Backbone interact. energy: -0.535
local terms energy: -150.658096
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: -42.729
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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -469.052182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.052182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.052182 (E_RNA)
where:
Base-Base interactions energy: -308.158
where: short stacking energy: -140.026
Base-Backbone interact. energy: -0.590
local terms energy: -160.304150
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -41.676
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: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -435.515861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.515861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.515861 (E_RNA)
where:
Base-Base interactions energy: -285.768
where: short stacking energy: -129.854
Base-Backbone interact. energy: -0.507
local terms energy: -149.240986
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -46.693
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: 143
Temperature: 1.200000
Total energy: -278.302502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.302502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.302502 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -87.697
Base-Backbone interact. energy: -0.718
local terms energy: -119.277923
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -32.670
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -202.319547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.319547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.319547 (E_RNA)
where:
Base-Base interactions energy: -111.313
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.631
local terms energy: -90.375345
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -155.166264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.166264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.166264 (E_RNA)
where:
Base-Base interactions energy: -63.706
where: short stacking energy: -36.906
Base-Backbone interact. energy: 1.204
local terms energy: -92.664180
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -139.377056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.377056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.377056 (E_RNA)
where:
Base-Base interactions energy: -50.806
where: short stacking energy: -41.569
Base-Backbone interact. energy: -0.491
local terms energy: -88.080235
where:
bonds (distance) C4'-P energy: -29.298
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: 2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -530.760637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.760637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.760637 (E_RNA)
where:
Base-Base interactions energy: -367.511
where: short stacking energy: -148.049
Base-Backbone interact. energy: -0.286
local terms energy: -162.964009
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -30.300
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -518.412858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.412858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.412858 (E_RNA)
where:
Base-Base interactions energy: -351.166
where: short stacking energy: -143.090
Base-Backbone interact. energy: -0.272
local terms energy: -166.974090
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -485.651586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.651586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.651586 (E_RNA)
where:
Base-Base interactions energy: -316.982
where: short stacking energy: -134.410
Base-Backbone interact. energy: -0.250
local terms energy: -168.419922
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -35.749
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -44.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -444.495980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.495980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.495980 (E_RNA)
where:
Base-Base interactions energy: -305.117
where: short stacking energy: -141.093
Base-Backbone interact. energy: -0.068
local terms energy: -139.311403
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -39.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -453.400638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.400638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.400638 (E_RNA)
where:
Base-Base interactions energy: -301.675
where: short stacking energy: -135.535
Base-Backbone interact. energy: -0.256
local terms energy: -151.469776
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -413.985924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.985924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.985924 (E_RNA)
where:
Base-Base interactions energy: -269.592
where: short stacking energy: -120.665
Base-Backbone interact. energy: -0.469
local terms energy: -143.924167
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -39.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -253.518456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.518456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.518456 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.637
local terms energy: -110.363378
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -277.388418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.388418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.388418 (E_RNA)
where:
Base-Base interactions energy: -168.897
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.640
local terms energy: -107.851249
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -149.301806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.301806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.301806 (E_RNA)
where:
Base-Base interactions energy: -58.739
where: short stacking energy: -44.715
Base-Backbone interact. energy: 0.982
local terms energy: -91.544893
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -28.278
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -151.227132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.227132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.227132 (E_RNA)
where:
Base-Base interactions energy: -55.962
where: short stacking energy: -55.962
Base-Backbone interact. energy: -1.173
local terms energy: -94.092067
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -12.356
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -523.497082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.497082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.497082 (E_RNA)
where:
Base-Base interactions energy: -359.897
where: short stacking energy: -149.559
Base-Backbone interact. energy: -0.688
local terms energy: -162.911570
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -510.314009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.314009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.314009 (E_RNA)
where:
Base-Base interactions energy: -335.335
where: short stacking energy: -149.444
Base-Backbone interact. energy: -0.220
local terms energy: -174.758606
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -42.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -484.182497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.182497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.182497 (E_RNA)
where:
Base-Base interactions energy: -329.267
where: short stacking energy: -143.568
Base-Backbone interact. energy: -0.145
local terms energy: -154.770564
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -37.634
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -39.383
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: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -450.194351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.194351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.194351 (E_RNA)
where:
Base-Base interactions energy: -292.821
where: short stacking energy: -137.976
Base-Backbone interact. energy: -0.387
local terms energy: -156.986729
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -44.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -427.653897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.653897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.653897 (E_RNA)
where:
Base-Base interactions energy: -280.510
where: short stacking energy: -124.665
Base-Backbone interact. energy: -0.961
local terms energy: -146.182615
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -391.458467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.458467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.458467 (E_RNA)
where:
Base-Base interactions energy: -243.804
where: short stacking energy: -116.218
Base-Backbone interact. energy: 0.034
local terms energy: -147.688866
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -41.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -247.060467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.060467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.060467 (E_RNA)
where:
Base-Base interactions energy: -130.375
where: short stacking energy: -56.072
Base-Backbone interact. energy: -1.244
local terms energy: -115.441103
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -7.402
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -285.288165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.288165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.288165 (E_RNA)
where:
Base-Base interactions energy: -179.229
where: short stacking energy: -81.686
Base-Backbone interact. energy: -0.595
local terms energy: -105.464640
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -12.123
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: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -153.179906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.179906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.179906 (E_RNA)
where:
Base-Base interactions energy: -56.960
where: short stacking energy: -35.184
Base-Backbone interact. energy: -1.983
local terms energy: -94.237086
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -156.324961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.324961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.324961 (E_RNA)
where:
Base-Base interactions energy: -52.360
where: short stacking energy: -41.586
Base-Backbone interact. energy: -0.659
local terms energy: -103.306105
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -21.832
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -533.657650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.657650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.657650 (E_RNA)
where:
Base-Base interactions energy: -372.453
where: short stacking energy: -148.263
Base-Backbone interact. energy: -0.246
local terms energy: -160.958818
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -48.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -506.869401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.869401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.869401 (E_RNA)
where:
Base-Base interactions energy: -349.230
where: short stacking energy: -146.368
Base-Backbone interact. energy: 0.025
local terms energy: -157.663859
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -45.118
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: 146
Temperature: 1.000000
Total energy: -477.872360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.872360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.872360 (E_RNA)
where:
Base-Base interactions energy: -325.097
where: short stacking energy: -144.123
Base-Backbone interact. energy: 0.009
local terms energy: -152.784638
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -39.649
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: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -442.289558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.289558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.289558 (E_RNA)
where:
Base-Base interactions energy: -299.568
where: short stacking energy: -130.385
Base-Backbone interact. energy: -0.227
local terms energy: -142.494484
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -29.982
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -40.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -424.107906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.107906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.107906 (E_RNA)
where:
Base-Base interactions energy: -279.624
where: short stacking energy: -132.676
Base-Backbone interact. energy: -0.385
local terms energy: -144.098766
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -38.765
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: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -440.183890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.183890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.183890 (E_RNA)
where:
Base-Base interactions energy: -289.323
where: short stacking energy: -122.655
Base-Backbone interact. energy: -0.418
local terms energy: -150.442358
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -41.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -284.489998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.489998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.489998 (E_RNA)
where:
Base-Base interactions energy: -163.558
where: short stacking energy: -82.321
Base-Backbone interact. energy: -0.034
local terms energy: -120.898058
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -27.412
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -251.405992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.405992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.405992 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -90.507
Base-Backbone interact. energy: 0.509
local terms energy: -101.044148
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -156.424926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.424926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.424926 (E_RNA)
where:
Base-Base interactions energy: -62.623
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.910
local terms energy: -92.891274
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -147.884989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.884989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.884989 (E_RNA)
where:
Base-Base interactions energy: -50.206
where: short stacking energy: -36.292
Base-Backbone interact. energy: 1.483
local terms energy: -99.162267
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -538.533912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.533912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.533912 (E_RNA)
where:
Base-Base interactions energy: -364.861
where: short stacking energy: -153.396
Base-Backbone interact. energy: -0.125
local terms energy: -173.547276
where:
bonds (distance) C4'-P energy: -34.514
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -43.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -512.452198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.452198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.452198 (E_RNA)
where:
Base-Base interactions energy: -346.467
where: short stacking energy: -145.638
Base-Backbone interact. energy: -0.013
local terms energy: -165.972090
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -472.512543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.512543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.512543 (E_RNA)
where:
Base-Base interactions energy: -335.383
where: short stacking energy: -146.764
Base-Backbone interact. energy: -0.987
local terms energy: -136.142355
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -41.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -440.586301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.586301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.586301 (E_RNA)
where:
Base-Base interactions energy: -297.155
where: short stacking energy: -132.786
Base-Backbone interact. energy: -0.401
local terms energy: -143.030031
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -425.170463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.170463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.170463 (E_RNA)
where:
Base-Base interactions energy: -288.511
where: short stacking energy: -131.271
Base-Backbone interact. energy: -0.250
local terms energy: -136.409828
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -40.634
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: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -418.385827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.385827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.385827 (E_RNA)
where:
Base-Base interactions energy: -286.499
where: short stacking energy: -127.609
Base-Backbone interact. energy: -1.465
local terms energy: -130.422039
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -25.432
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -35.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -287.132116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.132116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.132116 (E_RNA)
where:
Base-Base interactions energy: -162.431
where: short stacking energy: -79.421
Base-Backbone interact. energy: -0.332
local terms energy: -124.368741
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -33.101
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -251.002508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.002508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.002508 (E_RNA)
where:
Base-Base interactions energy: -143.516
where: short stacking energy: -75.990
Base-Backbone interact. energy: -1.110
local terms energy: -106.376617
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -148.097563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.097563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.097563 (E_RNA)
where:
Base-Base interactions energy: -57.497
where: short stacking energy: -40.617
Base-Backbone interact. energy: 1.792
local terms energy: -92.392601
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -28.063
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -19.907
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: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -137.486026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.486026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.486026 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.247
local terms energy: -88.155225
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -519.409464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.409464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.409464 (E_RNA)
where:
Base-Base interactions energy: -349.002
where: short stacking energy: -157.093
Base-Backbone interact. energy: -0.208
local terms energy: -170.200070
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -48.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -523.867807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.867807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.867807 (E_RNA)
where:
Base-Base interactions energy: -359.001
where: short stacking energy: -151.300
Base-Backbone interact. energy: -0.043
local terms energy: -164.823550
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -52.345
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: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -476.665327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.665327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.665327 (E_RNA)
where:
Base-Base interactions energy: -315.970
where: short stacking energy: -138.168
Base-Backbone interact. energy: -0.073
local terms energy: -160.623082
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -427.362898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.362898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.362898 (E_RNA)
where:
Base-Base interactions energy: -281.201
where: short stacking energy: -135.149
Base-Backbone interact. energy: -0.198
local terms energy: -145.964694
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -36.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -414.908799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.908799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.908799 (E_RNA)
where:
Base-Base interactions energy: -284.040
where: short stacking energy: -119.646
Base-Backbone interact. energy: 0.097
local terms energy: -130.966523
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -30.517
flat angles P-C4'-P energy: -19.319
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: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -421.629879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.629879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.629879 (E_RNA)
where:
Base-Base interactions energy: -284.246
where: short stacking energy: -107.976
Base-Backbone interact. energy: -0.478
local terms energy: -136.906062
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -32.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -297.985827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.985827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.985827 (E_RNA)
where:
Base-Base interactions energy: -175.356
where: short stacking energy: -85.197
Base-Backbone interact. energy: 1.727
local terms energy: -124.357436
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -23.219
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: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -248.081226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.081226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.081226 (E_RNA)
where:
Base-Base interactions energy: -142.006
where: short stacking energy: -75.432
Base-Backbone interact. energy: -0.284
local terms energy: -105.791842
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -146.486659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.486659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.486659 (E_RNA)
where:
Base-Base interactions energy: -55.100
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.281
local terms energy: -91.104769
where:
bonds (distance) C4'-P energy: -33.458
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -138.470430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.470430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.470430 (E_RNA)
where:
Base-Base interactions energy: -46.078
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.754
local terms energy: -91.638845
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -27.796
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -529.785837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.785837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.785837 (E_RNA)
where:
Base-Base interactions energy: -359.155
where: short stacking energy: -159.518
Base-Backbone interact. energy: -0.686
local terms energy: -169.944523
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -46.602
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -525.892634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.892634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.892634 (E_RNA)
where:
Base-Base interactions energy: -362.178
where: short stacking energy: -149.679
Base-Backbone interact. energy: 0.262
local terms energy: -163.976274
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -48.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -473.408742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.408742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.408742 (E_RNA)
where:
Base-Base interactions energy: -318.815
where: short stacking energy: -132.323
Base-Backbone interact. energy: -0.136
local terms energy: -154.457179
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -451.108550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.108550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.108550 (E_RNA)
where:
Base-Base interactions energy: -305.736
where: short stacking energy: -136.058
Base-Backbone interact. energy: -0.267
local terms energy: -145.105217
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -42.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -407.638942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.638942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.638942 (E_RNA)
where:
Base-Base interactions energy: -263.469
where: short stacking energy: -128.085
Base-Backbone interact. energy: -0.191
local terms energy: -143.979054
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -42.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -420.160654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.160654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.160654 (E_RNA)
where:
Base-Base interactions energy: -284.542
where: short stacking energy: -122.726
Base-Backbone interact. energy: -0.086
local terms energy: -135.533051
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -37.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -308.817220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.817220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.817220 (E_RNA)
where:
Base-Base interactions energy: -194.065
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.887
local terms energy: -113.864908
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -25.109
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -245.380608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.380608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.380608 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -62.991
Base-Backbone interact. energy: -1.225
local terms energy: -110.162645
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -150.169342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.169342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.169342 (E_RNA)
where:
Base-Base interactions energy: -45.027
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.291
local terms energy: -104.850743
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -137.130727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.130727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.130727 (E_RNA)
where:
Base-Base interactions energy: -60.991
where: short stacking energy: -52.416
Base-Backbone interact. energy: 0.579
local terms energy: -76.718907
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -530.487716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.487716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.487716 (E_RNA)
where:
Base-Base interactions energy: -360.720
where: short stacking energy: -157.291
Base-Backbone interact. energy: -0.027
local terms energy: -169.741052
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -51.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -521.295908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.295908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.295908 (E_RNA)
where:
Base-Base interactions energy: -354.154
where: short stacking energy: -137.123
Base-Backbone interact. energy: -1.119
local terms energy: -166.023503
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -454.142119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.142119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.142119 (E_RNA)
where:
Base-Base interactions energy: -314.897
where: short stacking energy: -137.364
Base-Backbone interact. energy: -0.800
local terms energy: -138.444829
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -37.388
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -475.176902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.176902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.176902 (E_RNA)
where:
Base-Base interactions energy: -322.051
where: short stacking energy: -129.260
Base-Backbone interact. energy: -0.219
local terms energy: -152.906842
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -34.887
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: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -459.024593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.024593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.024593 (E_RNA)
where:
Base-Base interactions energy: -311.451
where: short stacking energy: -143.883
Base-Backbone interact. energy: -0.012
local terms energy: -147.561282
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -47.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -390.420982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.420982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.420982 (E_RNA)
where:
Base-Base interactions energy: -252.858
where: short stacking energy: -111.853
Base-Backbone interact. energy: -0.440
local terms energy: -137.122840
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -32.384
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: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -327.198488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.198488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.198488 (E_RNA)
where:
Base-Base interactions energy: -195.563
where: short stacking energy: -106.483
Base-Backbone interact. energy: -0.038
local terms energy: -131.597766
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -242.275682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.275682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.275682 (E_RNA)
where:
Base-Base interactions energy: -129.997
where: short stacking energy: -71.998
Base-Backbone interact. energy: -2.104
local terms energy: -110.174989
where:
bonds (distance) C4'-P energy: -34.305
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -9.827
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: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -150.583578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.583578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.583578 (E_RNA)
where:
Base-Base interactions energy: -64.073
where: short stacking energy: -33.532
Base-Backbone interact. energy: -0.452
local terms energy: -86.058321
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: 8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -131.785882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.785882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.785882 (E_RNA)
where:
Base-Base interactions energy: -58.972
where: short stacking energy: -52.335
Base-Backbone interact. energy: 3.333
local terms energy: -76.147242
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -514.780138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.780138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.780138 (E_RNA)
where:
Base-Base interactions energy: -353.587
where: short stacking energy: -153.041
Base-Backbone interact. energy: 1.039
local terms energy: -162.231806
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -44.342
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: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -511.542124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.542124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.542124 (E_RNA)
where:
Base-Base interactions energy: -359.618
where: short stacking energy: -148.424
Base-Backbone interact. energy: -0.100
local terms energy: -151.823871
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -31.988
flat angles C4'-P-C4' energy: -29.459
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -43.798
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: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -452.388437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.388437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.388437 (E_RNA)
where:
Base-Base interactions energy: -297.240
where: short stacking energy: -121.094
Base-Backbone interact. energy: -0.693
local terms energy: -154.455432
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -37.653
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: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -482.649344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.649344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.649344 (E_RNA)
where:
Base-Base interactions energy: -337.828
where: short stacking energy: -140.258
Base-Backbone interact. energy: -1.094
local terms energy: -143.727372
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -453.413188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.413188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.413188 (E_RNA)
where:
Base-Base interactions energy: -300.001
where: short stacking energy: -139.403
Base-Backbone interact. energy: -0.018
local terms energy: -153.394443
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -42.363
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: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -404.063547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.063547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.063547 (E_RNA)
where:
Base-Base interactions energy: -263.369
where: short stacking energy: -116.553
Base-Backbone interact. energy: -1.259
local terms energy: -139.435690
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -332.781497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.781497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.781497 (E_RNA)
where:
Base-Base interactions energy: -198.170
where: short stacking energy: -99.795
Base-Backbone interact. energy: -2.064
local terms energy: -132.547080
where:
bonds (distance) C4'-P energy: -27.091
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -239.662709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.662709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.662709 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.150
local terms energy: -110.662987
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -151.741058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.741058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.741058 (E_RNA)
where:
Base-Base interactions energy: -62.315
where: short stacking energy: -49.843
Base-Backbone interact. energy: -0.090
local terms energy: -89.335921
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -155.441773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.441773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.441773 (E_RNA)
where:
Base-Base interactions energy: -68.598
where: short stacking energy: -48.532
Base-Backbone interact. energy: -1.159
local terms energy: -85.685222
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -521.827514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.827514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.827514 (E_RNA)
where:
Base-Base interactions energy: -362.547
where: short stacking energy: -136.529
Base-Backbone interact. energy: -0.074
local terms energy: -159.206411
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -42.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -510.741936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.741936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.741936 (E_RNA)
where:
Base-Base interactions energy: -355.012
where: short stacking energy: -142.452
Base-Backbone interact. energy: -0.423
local terms energy: -155.306972
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -40.629
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: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -481.913918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.913918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.913918 (E_RNA)
where:
Base-Base interactions energy: -320.997
where: short stacking energy: -142.851
Base-Backbone interact. energy: -0.309
local terms energy: -160.608103
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -45.955
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -444.755295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.755295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.755295 (E_RNA)
where:
Base-Base interactions energy: -308.270
where: short stacking energy: -125.128
Base-Backbone interact. energy: -0.508
local terms energy: -135.977382
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -34.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -452.530413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.530413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.530413 (E_RNA)
where:
Base-Base interactions energy: -292.173
where: short stacking energy: -128.767
Base-Backbone interact. energy: -0.686
local terms energy: -159.671087
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -45.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -406.929376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.929376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.929376 (E_RNA)
where:
Base-Base interactions energy: -274.410
where: short stacking energy: -133.180
Base-Backbone interact. energy: -0.145
local terms energy: -132.373873
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -19.705
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: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -281.961832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.961832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.961832 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -81.744
Base-Backbone interact. energy: 0.115
local terms energy: -124.605126
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -16.937
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: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -343.649013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.649013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.649013 (E_RNA)
where:
Base-Base interactions energy: -206.511
where: short stacking energy: -90.156
Base-Backbone interact. energy: -0.939
local terms energy: -136.199426
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -26.902
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: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -149.491921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.491921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.491921 (E_RNA)
where:
Base-Base interactions energy: -67.318
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.599
local terms energy: -81.574538
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -138.096914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.096914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.096914 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.847
local terms energy: -83.733750
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -7.035
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: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -535.088897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.088897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.088897 (E_RNA)
where:
Base-Base interactions energy: -368.842
where: short stacking energy: -149.807
Base-Backbone interact. energy: -0.142
local terms energy: -166.104783
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -42.741
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -530.266499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.266499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.266499 (E_RNA)
where:
Base-Base interactions energy: -369.691
where: short stacking energy: -150.634
Base-Backbone interact. energy: -0.150
local terms energy: -160.425775
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -46.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -483.694356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.694356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.694356 (E_RNA)
where:
Base-Base interactions energy: -329.551
where: short stacking energy: -142.328
Base-Backbone interact. energy: 1.566
local terms energy: -155.709581
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -455.622847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.622847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.622847 (E_RNA)
where:
Base-Base interactions energy: -302.373
where: short stacking energy: -132.977
Base-Backbone interact. energy: -0.181
local terms energy: -153.068712
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -40.984
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: 153
Temperature: 1.100000
Total energy: -433.748894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.748894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.748894 (E_RNA)
where:
Base-Base interactions energy: -302.071
where: short stacking energy: -130.762
Base-Backbone interact. energy: -0.607
local terms energy: -131.071156
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -17.288
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: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -411.502419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.502419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.502419 (E_RNA)
where:
Base-Base interactions energy: -271.070
where: short stacking energy: -127.234
Base-Backbone interact. energy: -0.521
local terms energy: -139.911894
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -37.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -261.550801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.550801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.550801 (E_RNA)
where:
Base-Base interactions energy: -145.715
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.258
local terms energy: -115.577528
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -316.325310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.325310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.325310 (E_RNA)
where:
Base-Base interactions energy: -188.906
where: short stacking energy: -93.684
Base-Backbone interact. energy: -0.846
local terms energy: -126.573640
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -152.242860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.242860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.242860 (E_RNA)
where:
Base-Base interactions energy: -60.088
where: short stacking energy: -49.762
Base-Backbone interact. energy: 2.063
local terms energy: -94.217273
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -142.277760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.277760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.277760 (E_RNA)
where:
Base-Base interactions energy: -48.385
where: short stacking energy: -42.998
Base-Backbone interact. energy: 0.152
local terms energy: -94.044448
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -16.332
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: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -518.833180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.833180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.833180 (E_RNA)
where:
Base-Base interactions energy: -349.400
where: short stacking energy: -150.599
Base-Backbone interact. energy: -1.124
local terms energy: -168.308612
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -514.828376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.828376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.828376 (E_RNA)
where:
Base-Base interactions energy: -346.735
where: short stacking energy: -140.693
Base-Backbone interact. energy: -0.130
local terms energy: -167.963105
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -498.760228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.760228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.760228 (E_RNA)
where:
Base-Base interactions energy: -342.132
where: short stacking energy: -144.447
Base-Backbone interact. energy: 1.125
local terms energy: -157.752597
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -45.525
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -446.238265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.238265 (E_RNA)
where:
Base-Base interactions energy: -296.143
where: short stacking energy: -120.201
Base-Backbone interact. energy: -0.845
local terms energy: -149.250147
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -36.816
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: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -429.065037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.065037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.065037 (E_RNA)
where:
Base-Base interactions energy: -289.664
where: short stacking energy: -117.370
Base-Backbone interact. energy: -1.731
local terms energy: -137.669733
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -19.233
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: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -387.569846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.569846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.569846 (E_RNA)
where:
Base-Base interactions energy: -256.745
where: short stacking energy: -117.655
Base-Backbone interact. energy: -0.628
local terms energy: -130.196908
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -34.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -310.791104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.791104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.791104 (E_RNA)
where:
Base-Base interactions energy: -183.122
where: short stacking energy: -81.089
Base-Backbone interact. energy: 0.846
local terms energy: -128.515248
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -261.579741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.579741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.579741 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -71.239
Base-Backbone interact. energy: -0.267
local terms energy: -112.715087
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -15.747
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: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -148.639084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.639084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.639084 (E_RNA)
where:
Base-Base interactions energy: -51.716
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.358
local terms energy: -96.564863
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -21.165
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: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -148.197707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.197707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.197707 (E_RNA)
where:
Base-Base interactions energy: -58.547
where: short stacking energy: -46.532
Base-Backbone interact. energy: -2.081
local terms energy: -87.569842
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -523.104786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.104786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.104786 (E_RNA)
where:
Base-Base interactions energy: -357.834
where: short stacking energy: -148.290
Base-Backbone interact. energy: -1.596
local terms energy: -163.674859
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -45.270
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -518.906793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.906793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.906793 (E_RNA)
where:
Base-Base interactions energy: -350.531
where: short stacking energy: -156.930
Base-Backbone interact. energy: -0.080
local terms energy: -168.295731
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -33.066
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -46.002
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: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -504.762090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.762090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.762090 (E_RNA)
where:
Base-Base interactions energy: -343.838
where: short stacking energy: -143.991
Base-Backbone interact. energy: -1.414
local terms energy: -159.510139
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -42.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -457.956130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.956130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.956130 (E_RNA)
where:
Base-Base interactions energy: -306.108
where: short stacking energy: -147.936
Base-Backbone interact. energy: -0.827
local terms energy: -151.020981
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -41.625
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: 155
Temperature: 1.100000
Total energy: -435.098002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.098002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.098002 (E_RNA)
where:
Base-Base interactions energy: -292.486
where: short stacking energy: -118.822
Base-Backbone interact. energy: -1.126
local terms energy: -141.486072
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -36.134
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: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -419.830383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.830383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.830383 (E_RNA)
where:
Base-Base interactions energy: -272.186
where: short stacking energy: -117.329
Base-Backbone interact. energy: -0.575
local terms energy: -147.070072
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -39.003
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: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -297.327698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.327698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.327698 (E_RNA)
where:
Base-Base interactions energy: -185.830
where: short stacking energy: -98.901
Base-Backbone interact. energy: -0.631
local terms energy: -110.866236
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -7.913
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: 155
Temperature: 1.250000
Total energy: -235.940438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.940438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.940438 (E_RNA)
where:
Base-Base interactions energy: -133.262
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.355
local terms energy: -102.323281
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -142.953051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.953051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.953051 (E_RNA)
where:
Base-Base interactions energy: -46.923
where: short stacking energy: -40.711
Base-Backbone interact. energy: -0.350
local terms energy: -95.679832
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: 3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -137.830017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.830017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.830017 (E_RNA)
where:
Base-Base interactions energy: -44.520
where: short stacking energy: -44.520
Base-Backbone interact. energy: 0.473
local terms energy: -93.782789
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: 1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -526.816604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.816604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.816604 (E_RNA)
where:
Base-Base interactions energy: -356.978
where: short stacking energy: -162.959
Base-Backbone interact. energy: -0.105
local terms energy: -169.733265
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -31.505
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -27.861
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -504.049004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.049004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.049004 (E_RNA)
where:
Base-Base interactions energy: -339.257
where: short stacking energy: -141.300
Base-Backbone interact. energy: -0.637
local terms energy: -164.155210
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -46.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -472.645489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.645489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.645489 (E_RNA)
where:
Base-Base interactions energy: -314.719
where: short stacking energy: -139.520
Base-Backbone interact. energy: -0.007
local terms energy: -157.920134
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -479.396877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.396877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.396877 (E_RNA)
where:
Base-Base interactions energy: -329.561
where: short stacking energy: -138.957
Base-Backbone interact. energy: -0.286
local terms energy: -149.549127
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -40.102
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: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -453.246561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.246561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.246561 (E_RNA)
where:
Base-Base interactions energy: -302.393
where: short stacking energy: -138.774
Base-Backbone interact. energy: 0.027
local terms energy: -150.880521
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -416.293810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.293810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.293810 (E_RNA)
where:
Base-Base interactions energy: -268.038
where: short stacking energy: -125.975
Base-Backbone interact. energy: -0.512
local terms energy: -147.744161
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -38.393
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: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -303.982113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.982113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.982113 (E_RNA)
where:
Base-Base interactions energy: -178.171
where: short stacking energy: -88.683
Base-Backbone interact. energy: -0.415
local terms energy: -125.396286
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -199.754178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.754178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.754178 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -60.597
Base-Backbone interact. energy: 2.528
local terms energy: -96.560207
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -139.398102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.398102 (E_RNA)
where:
Base-Base interactions energy: -54.877
where: short stacking energy: -39.812
Base-Backbone interact. energy: 0.392
local terms energy: -84.912928
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -11.318
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: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -150.505724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.505724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.505724 (E_RNA)
where:
Base-Base interactions energy: -62.990
where: short stacking energy: -31.108
Base-Backbone interact. energy: -0.465
local terms energy: -87.050701
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: 7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -521.640049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.640049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.640049 (E_RNA)
where:
Base-Base interactions energy: -360.981
where: short stacking energy: -155.089
Base-Backbone interact. energy: -0.066
local terms energy: -160.593631
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -518.676928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.676928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.676928 (E_RNA)
where:
Base-Base interactions energy: -356.993
where: short stacking energy: -142.637
Base-Backbone interact. energy: -0.844
local terms energy: -160.840130
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -463.922578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.922578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.922578 (E_RNA)
where:
Base-Base interactions energy: -302.912
where: short stacking energy: -122.226
Base-Backbone interact. energy: -0.070
local terms energy: -160.940452
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -35.327
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -42.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -472.821822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.821822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.821822 (E_RNA)
where:
Base-Base interactions energy: -326.104
where: short stacking energy: -140.643
Base-Backbone interact. energy: 1.582
local terms energy: -148.299473
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -39.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -440.256154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.256154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.256154 (E_RNA)
where:
Base-Base interactions energy: -303.170
where: short stacking energy: -122.676
Base-Backbone interact. energy: -1.073
local terms energy: -136.012895
where:
bonds (distance) C4'-P energy: -26.744
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -18.231
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: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -421.112161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.112161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.112161 (E_RNA)
where:
Base-Base interactions energy: -277.328
where: short stacking energy: -126.613
Base-Backbone interact. energy: -0.165
local terms energy: -143.619115
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -342.327878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.327878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.327878 (E_RNA)
where:
Base-Base interactions energy: -225.359
where: short stacking energy: -105.727
Base-Backbone interact. energy: -0.450
local terms energy: -116.519417
where:
bonds (distance) C4'-P energy: -28.642
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -159.424934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.424934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.424934 (E_RNA)
where:
Base-Base interactions energy: -55.808
where: short stacking energy: -51.701
Base-Backbone interact. energy: -0.504
local terms energy: -103.112512
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -27.953
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -148.385159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.385159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.385159 (E_RNA)
where:
Base-Base interactions energy: -55.447
where: short stacking energy: -51.179
Base-Backbone interact. energy: -1.401
local terms energy: -91.537768
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -136.732564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.732564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.732564 (E_RNA)
where:
Base-Base interactions energy: -34.930
where: short stacking energy: -32.224
Base-Backbone interact. energy: 2.054
local terms energy: -103.857432
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -524.276944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.276944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.276944 (E_RNA)
where:
Base-Base interactions energy: -359.393
where: short stacking energy: -144.539
Base-Backbone interact. energy: -0.848
local terms energy: -164.036094
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -522.255324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.255324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.255324 (E_RNA)
where:
Base-Base interactions energy: -360.273
where: short stacking energy: -161.489
Base-Backbone interact. energy: -0.494
local terms energy: -161.487581
where:
bonds (distance) C4'-P energy: -27.629
bonds (distance) P-C4' energy: -34.150
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -46.614
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -508.907937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.907937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.907937 (E_RNA)
where:
Base-Base interactions energy: -344.352
where: short stacking energy: -147.063
Base-Backbone interact. energy: 0.034
local terms energy: -164.589899
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -46.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -461.941204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.941204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.941204 (E_RNA)
where:
Base-Base interactions energy: -303.013
where: short stacking energy: -136.026
Base-Backbone interact. energy: -0.027
local terms energy: -158.900395
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -32.728
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -46.838
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -427.605572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.605572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.605572 (E_RNA)
where:
Base-Base interactions energy: -294.763
where: short stacking energy: -129.861
Base-Backbone interact. energy: -0.314
local terms energy: -132.528403
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -35.167
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -388.644411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.644411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.644411 (E_RNA)
where:
Base-Base interactions energy: -249.422
where: short stacking energy: -122.718
Base-Backbone interact. energy: -0.253
local terms energy: -138.969873
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -19.065
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: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -357.933456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.933456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.933456 (E_RNA)
where:
Base-Base interactions energy: -226.377
where: short stacking energy: -105.170
Base-Backbone interact. energy: 0.893
local terms energy: -132.449495
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -31.780
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -224.692173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.692173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.692173 (E_RNA)
where:
Base-Base interactions energy: -128.283
where: short stacking energy: -59.018
Base-Backbone interact. energy: -1.097
local terms energy: -95.311611
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -10.790
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: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -163.741737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.741737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.741737 (E_RNA)
where:
Base-Base interactions energy: -68.989
where: short stacking energy: -54.877
Base-Backbone interact. energy: -0.230
local terms energy: -94.522926
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -143.419291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.419291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.419291 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -42.448
Base-Backbone interact. energy: 1.632
local terms energy: -102.603458
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -27.900
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -521.809221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.809221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.809221 (E_RNA)
where:
Base-Base interactions energy: -360.284
where: short stacking energy: -148.159
Base-Backbone interact. energy: -0.316
local terms energy: -161.209765
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -34.905
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -48.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -520.579389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.579389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.579389 (E_RNA)
where:
Base-Base interactions energy: -349.286
where: short stacking energy: -149.343
Base-Backbone interact. energy: 0.916
local terms energy: -172.209606
where:
bonds (distance) C4'-P energy: -33.067
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -49.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -497.825026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.825026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.825026 (E_RNA)
where:
Base-Base interactions energy: -333.322
where: short stacking energy: -149.330
Base-Backbone interact. energy: -0.044
local terms energy: -164.459244
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -31.599
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -47.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -430.239714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.239714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.239714 (E_RNA)
where:
Base-Base interactions energy: -286.744
where: short stacking energy: -130.746
Base-Backbone interact. energy: -0.273
local terms energy: -143.222390
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -31.897
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -40.452
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: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -412.655417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.655417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.655417 (E_RNA)
where:
Base-Base interactions energy: -275.230
where: short stacking energy: -125.824
Base-Backbone interact. energy: -0.481
local terms energy: -136.944358
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -16.739
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -375.137270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.137270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.137270 (E_RNA)
where:
Base-Base interactions energy: -232.025
where: short stacking energy: -99.968
Base-Backbone interact. energy: 0.790
local terms energy: -143.902433
where:
bonds (distance) C4'-P energy: -26.149
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -33.225
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: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -381.433368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.433368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.433368 (E_RNA)
where:
Base-Base interactions energy: -241.777
where: short stacking energy: -116.060
Base-Backbone interact. energy: -0.300
local terms energy: -139.356235
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -35.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -237.095561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.095561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.095561 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.324
local terms energy: -114.188171
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -145.621362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.621362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.621362 (E_RNA)
where:
Base-Base interactions energy: -56.760
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.358
local terms energy: -88.503961
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -154.861282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.861282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.861282 (E_RNA)
where:
Base-Base interactions energy: -68.882
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.606
local terms energy: -85.373160
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -527.057165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.057165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.057165 (E_RNA)
where:
Base-Base interactions energy: -362.602
where: short stacking energy: -141.616
Base-Backbone interact. energy: -1.454
local terms energy: -163.001505
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -517.004547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.004547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.004547 (E_RNA)
where:
Base-Base interactions energy: -340.558
where: short stacking energy: -131.848
Base-Backbone interact. energy: -1.346
local terms energy: -175.100706
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -47.975
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: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -488.440580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.440580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.440580 (E_RNA)
where:
Base-Base interactions energy: -342.664
where: short stacking energy: -139.188
Base-Backbone interact. energy: -0.483
local terms energy: -145.293175
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -41.952
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: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -429.606135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.606135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.606135 (E_RNA)
where:
Base-Base interactions energy: -288.899
where: short stacking energy: -123.062
Base-Backbone interact. energy: -0.426
local terms energy: -140.281952
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -426.076555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.076555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.076555 (E_RNA)
where:
Base-Base interactions energy: -288.458
where: short stacking energy: -125.269
Base-Backbone interact. energy: 0.701
local terms energy: -138.320092
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -38.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -383.493470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.493470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.493470 (E_RNA)
where:
Base-Base interactions energy: -249.196
where: short stacking energy: -123.029
Base-Backbone interact. energy: -0.074
local terms energy: -134.223695
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -31.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -350.836432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.836432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.836432 (E_RNA)
where:
Base-Base interactions energy: -243.450
where: short stacking energy: -122.018
Base-Backbone interact. energy: -0.276
local terms energy: -107.110466
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -29.568
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -253.305416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.305416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.305416 (E_RNA)
where:
Base-Base interactions energy: -124.583
where: short stacking energy: -65.413
Base-Backbone interact. energy: 0.652
local terms energy: -129.374336
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -145.611271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.611271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.611271 (E_RNA)
where:
Base-Base interactions energy: -60.617
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.621
local terms energy: -84.372832
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: 5.504
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: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -146.119440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.119440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.119440 (E_RNA)
where:
Base-Base interactions energy: -62.704
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.663
local terms energy: -82.752449
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: 5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -510.313318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.313318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.313318 (E_RNA)
where:
Base-Base interactions energy: -349.688
where: short stacking energy: -143.384
Base-Backbone interact. energy: -0.311
local terms energy: -160.314539
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -44.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -513.894757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.894757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.894757 (E_RNA)
where:
Base-Base interactions energy: -352.408
where: short stacking energy: -142.385
Base-Backbone interact. energy: -0.127
local terms energy: -161.359916
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -44.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -491.858864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.858864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.858864 (E_RNA)
where:
Base-Base interactions energy: -338.565
where: short stacking energy: -150.235
Base-Backbone interact. energy: -0.055
local terms energy: -153.238209
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -33.696
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -43.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -447.157930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.157930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.157930 (E_RNA)
where:
Base-Base interactions energy: -312.213
where: short stacking energy: -128.309
Base-Backbone interact. energy: -0.926
local terms energy: -134.018981
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -39.258
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: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -438.540362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.540362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.540362 (E_RNA)
where:
Base-Base interactions energy: -288.051
where: short stacking energy: -127.097
Base-Backbone interact. energy: -0.254
local terms energy: -150.235110
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -31.028
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -40.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -369.730278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.730278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.730278 (E_RNA)
where:
Base-Base interactions energy: -244.168
where: short stacking energy: -114.880
Base-Backbone interact. energy: -0.195
local terms energy: -125.366676
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -27.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -342.763427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.763427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.763427 (E_RNA)
where:
Base-Base interactions energy: -210.203
where: short stacking energy: -101.208
Base-Backbone interact. energy: 0.276
local terms energy: -132.836220
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -31.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -268.943577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.943577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.943577 (E_RNA)
where:
Base-Base interactions energy: -171.276
where: short stacking energy: -79.546
Base-Backbone interact. energy: -0.676
local terms energy: -96.991497
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -20.371
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: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -146.186555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.186555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.186555 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.459
local terms energy: -101.676071
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -166.517558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.517558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.517558 (E_RNA)
where:
Base-Base interactions energy: -82.461
where: short stacking energy: -39.876
Base-Backbone interact. energy: 0.194
local terms energy: -84.250164
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: 2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -528.034017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.034017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.034017 (E_RNA)
where:
Base-Base interactions energy: -367.566
where: short stacking energy: -156.480
Base-Backbone interact. energy: 0.122
local terms energy: -160.589269
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -44.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -488.532505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.532505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.532505 (E_RNA)
where:
Base-Base interactions energy: -334.841
where: short stacking energy: -139.346
Base-Backbone interact. energy: 0.710
local terms energy: -154.401870
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -35.221
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -44.891
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: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -500.147259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.147259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.147259 (E_RNA)
where:
Base-Base interactions energy: -335.874
where: short stacking energy: -145.247
Base-Backbone interact. energy: -0.024
local terms energy: -164.250096
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -45.241
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: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -470.784781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.784781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.784781 (E_RNA)
where:
Base-Base interactions energy: -323.721
where: short stacking energy: -136.492
Base-Backbone interact. energy: 0.713
local terms energy: -147.776545
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -26.907
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -31.621
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -405.981770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.981770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.981770 (E_RNA)
where:
Base-Base interactions energy: -269.581
where: short stacking energy: -120.003
Base-Backbone interact. energy: -0.048
local terms energy: -136.352363
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -38.391
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: 162
Temperature: 1.150000
Total energy: -378.338749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.338749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.338749 (E_RNA)
where:
Base-Base interactions energy: -243.793
where: short stacking energy: -112.765
Base-Backbone interact. energy: -0.162
local terms energy: -134.383218
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -35.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -333.799500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.799500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.799500 (E_RNA)
where:
Base-Base interactions energy: -203.027
where: short stacking energy: -92.842
Base-Backbone interact. energy: -0.304
local terms energy: -130.468384
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -240.809329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.809329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.809329 (E_RNA)
where:
Base-Base interactions energy: -129.522
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.693
local terms energy: -110.593985
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -172.402213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.402213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.402213 (E_RNA)
where:
Base-Base interactions energy: -91.542
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.472
local terms energy: -80.388750
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -142.195700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.195700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.195700 (E_RNA)
where:
Base-Base interactions energy: -62.514
where: short stacking energy: -42.391
Base-Backbone interact. energy: -0.883
local terms energy: -78.798726
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: 4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -526.117059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.117059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.117059 (E_RNA)
where:
Base-Base interactions energy: -356.002
where: short stacking energy: -145.044
Base-Backbone interact. energy: -0.406
local terms energy: -169.708879
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -48.289
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -486.429236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.429236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.429236 (E_RNA)
where:
Base-Base interactions energy: -333.059
where: short stacking energy: -146.803
Base-Backbone interact. energy: -0.317
local terms energy: -153.053815
where:
bonds (distance) C4'-P energy: -28.593
bonds (distance) P-C4' energy: -31.591
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -40.281
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -496.424895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.424895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.424895 (E_RNA)
where:
Base-Base interactions energy: -344.508
where: short stacking energy: -147.506
Base-Backbone interact. energy: -0.730
local terms energy: -151.186691
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -42.454
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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -451.136365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.136365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.136365 (E_RNA)
where:
Base-Base interactions energy: -298.961
where: short stacking energy: -123.897
Base-Backbone interact. energy: -0.107
local terms energy: -152.068328
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -40.878
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: 163
Temperature: 1.100000
Total energy: -439.223067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.223067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.223067 (E_RNA)
where:
Base-Base interactions energy: -294.467
where: short stacking energy: -118.610
Base-Backbone interact. energy: -0.324
local terms energy: -144.431621
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -28.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -372.783086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.783086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.783086 (E_RNA)
where:
Base-Base interactions energy: -249.703
where: short stacking energy: -105.339
Base-Backbone interact. energy: 1.085
local terms energy: -124.165249
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -25.807
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: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -331.911900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.911900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.911900 (E_RNA)
where:
Base-Base interactions energy: -218.680
where: short stacking energy: -96.652
Base-Backbone interact. energy: -0.254
local terms energy: -112.977502
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -247.450022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.450022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.450022 (E_RNA)
where:
Base-Base interactions energy: -139.809
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.982
local terms energy: -106.659387
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -10.445
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: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -155.865432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.865432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.865432 (E_RNA)
where:
Base-Base interactions energy: -58.521
where: short stacking energy: -47.817
Base-Backbone interact. energy: -0.046
local terms energy: -97.298454
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -139.290975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.290975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.290975 (E_RNA)
where:
Base-Base interactions energy: -56.334
where: short stacking energy: -40.777
Base-Backbone interact. energy: -0.024
local terms energy: -82.933285
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -526.242609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.242609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.242609 (E_RNA)
where:
Base-Base interactions energy: -362.869
where: short stacking energy: -145.213
Base-Backbone interact. energy: -0.469
local terms energy: -162.904773
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -502.072446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.072446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.072446 (E_RNA)
where:
Base-Base interactions energy: -343.863
where: short stacking energy: -147.301
Base-Backbone interact. energy: 0.062
local terms energy: -158.271503
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -46.226
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: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -505.530277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.530277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.530277 (E_RNA)
where:
Base-Base interactions energy: -344.484
where: short stacking energy: -154.302
Base-Backbone interact. energy: -0.621
local terms energy: -160.425226
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -28.947
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -48.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -455.020417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.020417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.020417 (E_RNA)
where:
Base-Base interactions energy: -308.577
where: short stacking energy: -139.442
Base-Backbone interact. energy: -0.084
local terms energy: -146.359014
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -41.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -456.099999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.099999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.099999 (E_RNA)
where:
Base-Base interactions energy: -304.731
where: short stacking energy: -129.265
Base-Backbone interact. energy: -0.118
local terms energy: -151.250189
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -35.151
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -38.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -403.426458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.426458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.426458 (E_RNA)
where:
Base-Base interactions energy: -261.698
where: short stacking energy: -113.171
Base-Backbone interact. energy: -0.726
local terms energy: -141.002066
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -34.638
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: 164
Temperature: 1.200000
Total energy: -312.953169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.953169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.953169 (E_RNA)
where:
Base-Base interactions energy: -188.560
where: short stacking energy: -94.007
Base-Backbone interact. energy: -0.862
local terms energy: -123.530705
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -258.970393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.970393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.970393 (E_RNA)
where:
Base-Base interactions energy: -146.472
where: short stacking energy: -72.381
Base-Backbone interact. energy: -0.617
local terms energy: -111.880791
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -26.379
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -17.318
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -143.356775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.356775 (E_RNA)
where:
Base-Base interactions energy: -50.277
where: short stacking energy: -48.555
Base-Backbone interact. energy: -0.593
local terms energy: -92.487535
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -12.376
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: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -154.411254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.411254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.411254 (E_RNA)
where:
Base-Base interactions energy: -56.726
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.498
local terms energy: -97.187857
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -531.782736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.782736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.782736 (E_RNA)
where:
Base-Base interactions energy: -361.901
where: short stacking energy: -147.953
Base-Backbone interact. energy: -0.166
local terms energy: -169.715988
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -44.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -491.122567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.122567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.122567 (E_RNA)
where:
Base-Base interactions energy: -332.995
where: short stacking energy: -148.414
Base-Backbone interact. energy: -0.112
local terms energy: -158.016367
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -48.729
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: 165
Temperature: 1.000000
Total energy: -497.110685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.110685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.110685 (E_RNA)
where:
Base-Base interactions energy: -344.030
where: short stacking energy: -143.441
Base-Backbone interact. energy: -0.065
local terms energy: -153.015437
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -42.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -464.560153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.560153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.560153 (E_RNA)
where:
Base-Base interactions energy: -311.899
where: short stacking energy: -133.389
Base-Backbone interact. energy: -0.987
local terms energy: -151.674440
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -31.018
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -35.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -441.791774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.791774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.791774 (E_RNA)
where:
Base-Base interactions energy: -300.094
where: short stacking energy: -128.550
Base-Backbone interact. energy: -0.675
local terms energy: -141.023435
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -44.062
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: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -327.054686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.054686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.054686 (E_RNA)
where:
Base-Base interactions energy: -200.966
where: short stacking energy: -113.079
Base-Backbone interact. energy: -0.577
local terms energy: -125.511802
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -23.500
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: 165
Temperature: 1.200000
Total energy: -373.608753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.608753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.608753 (E_RNA)
where:
Base-Base interactions energy: -236.894
where: short stacking energy: -106.368
Base-Backbone interact. energy: -0.144
local terms energy: -136.571400
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -32.979
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: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -252.290120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.290120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.290120 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.527
local terms energy: -101.965822
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -139.355520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.355520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.355520 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -34.679
Base-Backbone interact. energy: 0.892
local terms energy: -101.827083
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -17.275
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -138.803386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.803386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.803386 (E_RNA)
where:
Base-Base interactions energy: -60.802
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.130
local terms energy: -77.872318
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: 9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -526.178570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.178570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.178570 (E_RNA)
where:
Base-Base interactions energy: -350.493
where: short stacking energy: -156.680
Base-Backbone interact. energy: -0.067
local terms energy: -175.618537
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -35.570
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -50.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -487.996771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.996771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.996771 (E_RNA)
where:
Base-Base interactions energy: -329.519
where: short stacking energy: -142.269
Base-Backbone interact. energy: -1.477
local terms energy: -157.000638
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -40.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -477.117518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.117518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.117518 (E_RNA)
where:
Base-Base interactions energy: -322.551
where: short stacking energy: -140.535
Base-Backbone interact. energy: -1.565
local terms energy: -153.001561
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -38.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -500.179642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.179642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.179642 (E_RNA)
where:
Base-Base interactions energy: -349.307
where: short stacking energy: -158.455
Base-Backbone interact. energy: -1.792
local terms energy: -149.080985
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -49.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -441.093283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.093283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.093283 (E_RNA)
where:
Base-Base interactions energy: -298.437
where: short stacking energy: -132.376
Base-Backbone interact. energy: -0.302
local terms energy: -142.354001
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -40.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -351.104630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.104630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.104630 (E_RNA)
where:
Base-Base interactions energy: -212.585
where: short stacking energy: -105.047
Base-Backbone interact. energy: -0.493
local terms energy: -138.027026
where:
bonds (distance) C4'-P energy: -35.172
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -28.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -390.391953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.391953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.391953 (E_RNA)
where:
Base-Base interactions energy: -251.239
where: short stacking energy: -120.252
Base-Backbone interact. energy: -0.012
local terms energy: -139.140092
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -39.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -264.837954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.837954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.837954 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -83.660
Base-Backbone interact. energy: -0.190
local terms energy: -118.301543
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -150.391182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.391182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.391182 (E_RNA)
where:
Base-Base interactions energy: -57.047
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.778
local terms energy: -92.566622
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: 6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -137.104586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.104586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.104586 (E_RNA)
where:
Base-Base interactions energy: -54.938
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.327
local terms energy: -81.838762
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: 6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -532.313064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.313064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.313064 (E_RNA)
where:
Base-Base interactions energy: -367.783
where: short stacking energy: -159.963
Base-Backbone interact. energy: -0.067
local terms energy: -164.462795
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -48.907
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: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -503.075788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.075788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.075788 (E_RNA)
where:
Base-Base interactions energy: -347.853
where: short stacking energy: -132.174
Base-Backbone interact. energy: 0.240
local terms energy: -155.462969
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -39.525
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -490.245041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.245041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.245041 (E_RNA)
where:
Base-Base interactions energy: -325.140
where: short stacking energy: -143.220
Base-Backbone interact. energy: -0.746
local terms energy: -164.359199
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -45.449
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -498.729693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.729693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.729693 (E_RNA)
where:
Base-Base interactions energy: -343.040
where: short stacking energy: -147.700
Base-Backbone interact. energy: -0.264
local terms energy: -155.426107
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -447.539378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.539378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.539378 (E_RNA)
where:
Base-Base interactions energy: -285.614
where: short stacking energy: -124.913
Base-Backbone interact. energy: -0.384
local terms energy: -161.541902
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -25.794
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -387.962752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.962752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.962752 (E_RNA)
where:
Base-Base interactions energy: -240.519
where: short stacking energy: -99.855
Base-Backbone interact. energy: -0.488
local terms energy: -146.955643
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -23.248
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -310.618944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.618944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.618944 (E_RNA)
where:
Base-Base interactions energy: -198.578
where: short stacking energy: -81.364
Base-Backbone interact. energy: -0.357
local terms energy: -111.684488
where:
bonds (distance) C4'-P energy: -32.748
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -272.274118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.274118 (E_RNA)
where:
Base-Base interactions energy: -174.495
where: short stacking energy: -84.361
Base-Backbone interact. energy: 1.754
local terms energy: -99.532503
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -154.703652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.703652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.703652 (E_RNA)
where:
Base-Base interactions energy: -51.022
where: short stacking energy: -51.022
Base-Backbone interact. energy: -1.192
local terms energy: -102.489080
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -145.050096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.050096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.050096 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -41.521
Base-Backbone interact. energy: -2.456
local terms energy: -91.435296
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -523.942611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.942611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.942611 (E_RNA)
where:
Base-Base interactions energy: -361.965
where: short stacking energy: -151.435
Base-Backbone interact. energy: -0.081
local terms energy: -161.897124
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -34.213
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -45.760
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: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -501.320440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.320440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.320440 (E_RNA)
where:
Base-Base interactions energy: -348.681
where: short stacking energy: -143.019
Base-Backbone interact. energy: -0.668
local terms energy: -151.971954
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -511.064092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.064092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.064092 (E_RNA)
where:
Base-Base interactions energy: -347.296
where: short stacking energy: -152.249
Base-Backbone interact. energy: 1.009
local terms energy: -164.777530
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -49.530
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: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -463.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.202266 (E_RNA)
where:
Base-Base interactions energy: -307.833
where: short stacking energy: -130.866
Base-Backbone interact. energy: -0.757
local terms energy: -154.612353
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -38.027
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -408.560089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.560089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.560089 (E_RNA)
where:
Base-Base interactions energy: -258.355
where: short stacking energy: -122.796
Base-Backbone interact. energy: -0.939
local terms energy: -149.266905
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -39.699
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: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -435.289650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.289650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.289650 (E_RNA)
where:
Base-Base interactions energy: -298.304
where: short stacking energy: -124.755
Base-Backbone interact. energy: -0.351
local terms energy: -136.634776
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -371.676606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.676606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.676606 (E_RNA)
where:
Base-Base interactions energy: -234.039
where: short stacking energy: -90.734
Base-Backbone interact. energy: -0.558
local terms energy: -137.079725
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -246.292858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.292858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.292858 (E_RNA)
where:
Base-Base interactions energy: -147.540
where: short stacking energy: -65.361
Base-Backbone interact. energy: -1.062
local terms energy: -97.691298
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -171.225126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.225126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.225126 (E_RNA)
where:
Base-Base interactions energy: -67.575
where: short stacking energy: -60.572
Base-Backbone interact. energy: 1.660
local terms energy: -105.310051
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -130.691238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.691238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.691238 (E_RNA)
where:
Base-Base interactions energy: -37.805
where: short stacking energy: -26.672
Base-Backbone interact. energy: -0.274
local terms energy: -92.612821
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -519.174408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.174408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.174408 (E_RNA)
where:
Base-Base interactions energy: -361.981
where: short stacking energy: -154.229
Base-Backbone interact. energy: -0.223
local terms energy: -156.970300
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -44.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -514.618387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.618387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.618387 (E_RNA)
where:
Base-Base interactions energy: -354.097
where: short stacking energy: -148.420
Base-Backbone interact. energy: -0.164
local terms energy: -160.358078
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -491.921436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.921436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.921436 (E_RNA)
where:
Base-Base interactions energy: -336.993
where: short stacking energy: -140.173
Base-Backbone interact. energy: -0.682
local terms energy: -154.246100
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -37.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -456.006258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.006258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.006258 (E_RNA)
where:
Base-Base interactions energy: -311.990
where: short stacking energy: -130.445
Base-Backbone interact. energy: -0.137
local terms energy: -143.879716
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -413.946014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.946014 (E_RNA)
where:
Base-Base interactions energy: -266.676
where: short stacking energy: -141.472
Base-Backbone interact. energy: 0.657
local terms energy: -147.927451
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -41.065
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: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -440.132966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.132966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.132966 (E_RNA)
where:
Base-Base interactions energy: -290.430
where: short stacking energy: -123.603
Base-Backbone interact. energy: -0.255
local terms energy: -149.448578
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -32.374
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -41.365
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: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -377.980343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.980343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.980343 (E_RNA)
where:
Base-Base interactions energy: -245.958
where: short stacking energy: -103.755
Base-Backbone interact. energy: -1.119
local terms energy: -130.903198
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -156.172365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.172365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.172365 (E_RNA)
where:
Base-Base interactions energy: -46.745
where: short stacking energy: -29.929
Base-Backbone interact. energy: 0.298
local terms energy: -109.725395
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -227.832460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.832460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.832460 (E_RNA)
where:
Base-Base interactions energy: -126.813
where: short stacking energy: -65.280
Base-Backbone interact. energy: 0.135
local terms energy: -101.153621
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -155.804692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.804692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.804692 (E_RNA)
where:
Base-Base interactions energy: -65.855
where: short stacking energy: -50.876
Base-Backbone interact. energy: -0.043
local terms energy: -89.906302
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -7.826
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -528.295751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.295751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.295751 (E_RNA)
where:
Base-Base interactions energy: -356.860
where: short stacking energy: -158.431
Base-Backbone interact. energy: 0.783
local terms energy: -172.219316
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -47.713
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -522.268634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.268634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.268634 (E_RNA)
where:
Base-Base interactions energy: -364.353
where: short stacking energy: -147.550
Base-Backbone interact. energy: -0.025
local terms energy: -157.890733
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -45.005
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: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -485.540050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.540050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.540050 (E_RNA)
where:
Base-Base interactions energy: -339.336
where: short stacking energy: -143.413
Base-Backbone interact. energy: -0.673
local terms energy: -145.530756
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -39.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -466.645198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.645198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.645198 (E_RNA)
where:
Base-Base interactions energy: -314.454
where: short stacking energy: -120.692
Base-Backbone interact. energy: -0.428
local terms energy: -151.763238
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -31.637
flat angles P-C4'-P energy: -23.656
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: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -440.022746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.022746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.022746 (E_RNA)
where:
Base-Base interactions energy: -284.678
where: short stacking energy: -125.818
Base-Backbone interact. energy: 1.139
local terms energy: -156.484331
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -40.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -377.590665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.590665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.590665 (E_RNA)
where:
Base-Base interactions energy: -243.735
where: short stacking energy: -103.889
Base-Backbone interact. energy: -0.624
local terms energy: -133.232196
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -351.906271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.906271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.906271 (E_RNA)
where:
Base-Base interactions energy: -233.009
where: short stacking energy: -102.858
Base-Backbone interact. energy: -0.754
local terms energy: -118.143316
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -26.492
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: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -168.020738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.020738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.020738 (E_RNA)
where:
Base-Base interactions energy: -67.075
where: short stacking energy: -51.185
Base-Backbone interact. energy: 0.112
local terms energy: -101.058208
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -222.873003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.873003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873003 (E_RNA)
where:
Base-Base interactions energy: -117.663
where: short stacking energy: -47.396
Base-Backbone interact. energy: -0.812
local terms energy: -104.397526
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -139.306369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.306369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.306369 (E_RNA)
where:
Base-Base interactions energy: -42.141
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.377
local terms energy: -96.787923
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -521.578554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.578554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.578554 (E_RNA)
where:
Base-Base interactions energy: -362.235
where: short stacking energy: -136.184
Base-Backbone interact. energy: -0.115
local terms energy: -159.228944
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -39.827
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: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -482.838324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.838324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.838324 (E_RNA)
where:
Base-Base interactions energy: -325.718
where: short stacking energy: -133.449
Base-Backbone interact. energy: -2.428
local terms energy: -154.691767
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -39.577
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: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -517.778670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.778670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.778670 (E_RNA)
where:
Base-Base interactions energy: -349.168
where: short stacking energy: -143.313
Base-Backbone interact. energy: -1.547
local terms energy: -167.063991
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -45.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -467.368531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.368531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.368531 (E_RNA)
where:
Base-Base interactions energy: -321.003
where: short stacking energy: -132.616
Base-Backbone interact. energy: 0.009
local terms energy: -146.374407
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -42.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -428.874036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.874036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.874036 (E_RNA)
where:
Base-Base interactions energy: -275.704
where: short stacking energy: -118.113
Base-Backbone interact. energy: -0.540
local terms energy: -152.630269
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -34.809
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: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -386.277798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.277798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.277798 (E_RNA)
where:
Base-Base interactions energy: -248.100
where: short stacking energy: -105.739
Base-Backbone interact. energy: -0.736
local terms energy: -137.442714
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -18.834
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -343.839135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.839135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.839135 (E_RNA)
where:
Base-Base interactions energy: -216.514
where: short stacking energy: -99.189
Base-Backbone interact. energy: -0.257
local terms energy: -127.068040
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -247.776984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.776984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.776984 (E_RNA)
where:
Base-Base interactions energy: -123.847
where: short stacking energy: -73.377
Base-Backbone interact. energy: -0.673
local terms energy: -123.257486
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -149.557125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.557125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.557125 (E_RNA)
where:
Base-Base interactions energy: -65.965
where: short stacking energy: -41.231
Base-Backbone interact. energy: 0.516
local terms energy: -84.107899
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -0.072
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: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -140.895191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.895191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.895191 (E_RNA)
where:
Base-Base interactions energy: -50.656
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.959
local terms energy: -89.280075
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -519.955252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.955252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.955252 (E_RNA)
where:
Base-Base interactions energy: -355.409
where: short stacking energy: -145.033
Base-Backbone interact. energy: 0.112
local terms energy: -164.658081
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -34.280
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -40.132
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: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -493.568555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.568555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.568555 (E_RNA)
where:
Base-Base interactions energy: -345.732
where: short stacking energy: -137.301
Base-Backbone interact. energy: -0.367
local terms energy: -147.469922
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -478.920829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.920829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.920829 (E_RNA)
where:
Base-Base interactions energy: -326.839
where: short stacking energy: -133.412
Base-Backbone interact. energy: 0.372
local terms energy: -152.453925
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -44.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -514.133970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.133970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.133970 (E_RNA)
where:
Base-Base interactions energy: -347.668
where: short stacking energy: -148.665
Base-Backbone interact. energy: -0.293
local terms energy: -166.172025
where:
bonds (distance) C4'-P energy: -30.816
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -28.033
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -424.127740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.127740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.127740 (E_RNA)
where:
Base-Base interactions energy: -283.871
where: short stacking energy: -138.239
Base-Backbone interact. energy: -0.424
local terms energy: -139.832486
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -36.378
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -415.604755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.604755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.604755 (E_RNA)
where:
Base-Base interactions energy: -273.117
where: short stacking energy: -126.357
Base-Backbone interact. energy: -0.029
local terms energy: -142.458884
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -40.986
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -374.395890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.395890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.395890 (E_RNA)
where:
Base-Base interactions energy: -235.371
where: short stacking energy: -111.107
Base-Backbone interact. energy: -1.007
local terms energy: -138.017719
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -33.300
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -244.296431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.296431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.296431 (E_RNA)
where:
Base-Base interactions energy: -133.312
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.608
local terms energy: -110.376497
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -145.836716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.836716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.836716 (E_RNA)
where:
Base-Base interactions energy: -50.485
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.310
local terms energy: -95.041586
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: 2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -151.628630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.628630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.628630 (E_RNA)
where:
Base-Base interactions energy: -51.552
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.084
local terms energy: -99.993442
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -17.962
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: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -525.362883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.362883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.362883 (E_RNA)
where:
Base-Base interactions energy: -356.830
where: short stacking energy: -153.337
Base-Backbone interact. energy: -0.851
local terms energy: -167.681470
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -44.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -477.708951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.708951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.708951 (E_RNA)
where:
Base-Base interactions energy: -309.410
where: short stacking energy: -139.739
Base-Backbone interact. energy: -0.058
local terms energy: -168.240893
where:
bonds (distance) C4'-P energy: -35.536
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -46.598
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -482.007303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.007303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.007303 (E_RNA)
where:
Base-Base interactions energy: -327.588
where: short stacking energy: -130.716
Base-Backbone interact. energy: 0.285
local terms energy: -154.703613
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -42.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -508.979461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.979461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.979461 (E_RNA)
where:
Base-Base interactions energy: -355.356
where: short stacking energy: -136.867
Base-Backbone interact. energy: -0.314
local terms energy: -153.309520
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -42.897
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -386.801948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.801948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.801948 (E_RNA)
where:
Base-Base interactions energy: -260.788
where: short stacking energy: -110.682
Base-Backbone interact. energy: -0.898
local terms energy: -125.115379
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -31.055
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: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -418.033069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.033069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.033069 (E_RNA)
where:
Base-Base interactions energy: -285.675
where: short stacking energy: -114.862
Base-Backbone interact. energy: -0.125
local terms energy: -132.232593
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -39.203
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -351.977264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.977264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.977264 (E_RNA)
where:
Base-Base interactions energy: -230.538
where: short stacking energy: -94.471
Base-Backbone interact. energy: -0.972
local terms energy: -120.467426
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -256.880207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.880207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.880207 (E_RNA)
where:
Base-Base interactions energy: -143.209
where: short stacking energy: -79.564
Base-Backbone interact. energy: -0.057
local terms energy: -113.613708
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -146.141803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.141803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.141803 (E_RNA)
where:
Base-Base interactions energy: -51.683
where: short stacking energy: -51.312
Base-Backbone interact. energy: -0.125
local terms energy: -94.333810
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -143.848088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.848088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.848088 (E_RNA)
where:
Base-Base interactions energy: -68.421
where: short stacking energy: -43.635
Base-Backbone interact. energy: 0.020
local terms energy: -75.447553
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: 2.774
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: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -528.880430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.880430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.880430 (E_RNA)
where:
Base-Base interactions energy: -363.025
where: short stacking energy: -151.157
Base-Backbone interact. energy: -0.134
local terms energy: -165.721469
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -483.578318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.578318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.578318 (E_RNA)
where:
Base-Base interactions energy: -318.382
where: short stacking energy: -135.616
Base-Backbone interact. energy: -0.294
local terms energy: -164.902636
where:
bonds (distance) C4'-P energy: -28.371
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -40.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -506.300740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.300740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.300740 (E_RNA)
where:
Base-Base interactions energy: -352.113
where: short stacking energy: -144.746
Base-Backbone interact. energy: -0.016
local terms energy: -154.171989
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -42.666
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: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -484.552850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.552850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.552850 (E_RNA)
where:
Base-Base interactions energy: -331.496
where: short stacking energy: -137.309
Base-Backbone interact. energy: -0.818
local terms energy: -152.239538
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -35.108
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -35.954
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: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -427.246388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.246388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.246388 (E_RNA)
where:
Base-Base interactions energy: -273.846
where: short stacking energy: -118.211
Base-Backbone interact. energy: -0.211
local terms energy: -153.189214
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -37.086
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -376.820892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.820892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.820892 (E_RNA)
where:
Base-Base interactions energy: -240.963
where: short stacking energy: -114.161
Base-Backbone interact. energy: -0.478
local terms energy: -135.379539
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -31.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -314.224323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.224323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.224323 (E_RNA)
where:
Base-Base interactions energy: -194.772
where: short stacking energy: -95.884
Base-Backbone interact. energy: -0.465
local terms energy: -118.986676
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -252.003618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.003618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.003618 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -81.520
Base-Backbone interact. energy: 0.492
local terms energy: -90.762391
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -140.812577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.812577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.812577 (E_RNA)
where:
Base-Base interactions energy: -52.068
where: short stacking energy: -39.125
Base-Backbone interact. energy: 0.233
local terms energy: -88.977577
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -27.811
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: 0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -140.160093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.160093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.160093 (E_RNA)
where:
Base-Base interactions energy: -59.438
where: short stacking energy: -56.026
Base-Backbone interact. energy: 2.097
local terms energy: -82.818984
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -1.108
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: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -513.533734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.533734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.533734 (E_RNA)
where:
Base-Base interactions energy: -347.050
where: short stacking energy: -153.730
Base-Backbone interact. energy: -0.778
local terms energy: -165.706101
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -47.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -513.615995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.615995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.615995 (E_RNA)
where:
Base-Base interactions energy: -353.363
where: short stacking energy: -151.680
Base-Backbone interact. energy: -1.229
local terms energy: -159.023850
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -39.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -475.027174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.027174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.027174 (E_RNA)
where:
Base-Base interactions energy: -318.252
where: short stacking energy: -138.788
Base-Backbone interact. energy: -0.221
local terms energy: -156.553971
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -46.754
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: 175
Temperature: 1.050000
Total energy: -446.419858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.419858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.419858 (E_RNA)
where:
Base-Base interactions energy: -310.452
where: short stacking energy: -119.486
Base-Backbone interact. energy: -0.424
local terms energy: -135.543049
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -18.927
tors. eta vs tors. theta energy: -34.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -418.139853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.139853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.139853 (E_RNA)
where:
Base-Base interactions energy: -272.370
where: short stacking energy: -115.182
Base-Backbone interact. energy: -0.756
local terms energy: -145.014769
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -347.834335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.834335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.834335 (E_RNA)
where:
Base-Base interactions energy: -211.365
where: short stacking energy: -105.013
Base-Backbone interact. energy: -0.513
local terms energy: -135.956574
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -317.010645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.010645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.010645 (E_RNA)
where:
Base-Base interactions energy: -189.143
where: short stacking energy: -96.454
Base-Backbone interact. energy: 0.956
local terms energy: -128.824042
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -247.274680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.274680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.274680 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.356
local terms energy: -115.939299
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -13.187
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: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -140.157177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.157177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.157177 (E_RNA)
where:
Base-Base interactions energy: -57.859
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.092
local terms energy: -82.205997
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: 1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -133.220822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.220822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.220822 (E_RNA)
where:
Base-Base interactions energy: -47.229
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.334
local terms energy: -85.658319
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -10.308
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -516.679438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.679438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.679438 (E_RNA)
where:
Base-Base interactions energy: -354.599
where: short stacking energy: -142.246
Base-Backbone interact. energy: -0.857
local terms energy: -161.223601
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -42.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -521.351875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.351875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.351875 (E_RNA)
where:
Base-Base interactions energy: -369.092
where: short stacking energy: -140.659
Base-Backbone interact. energy: -0.885
local terms energy: -151.375790
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -37.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -483.488430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.488430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.488430 (E_RNA)
where:
Base-Base interactions energy: -331.349
where: short stacking energy: -138.749
Base-Backbone interact. energy: 0.113
local terms energy: -152.252977
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -39.779
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: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -466.441141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.441141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.441141 (E_RNA)
where:
Base-Base interactions energy: -314.679
where: short stacking energy: -136.329
Base-Backbone interact. energy: 2.273
local terms energy: -154.035795
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -44.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -385.892573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.892573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.892573 (E_RNA)
where:
Base-Base interactions energy: -246.865
where: short stacking energy: -112.096
Base-Backbone interact. energy: -0.345
local terms energy: -138.683143
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -30.083
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: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -423.428371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.428371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.428371 (E_RNA)
where:
Base-Base interactions energy: -288.450
where: short stacking energy: -131.946
Base-Backbone interact. energy: -0.444
local terms energy: -134.534721
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -27.854
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -40.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -334.889661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.889661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.889661 (E_RNA)
where:
Base-Base interactions energy: -218.931
where: short stacking energy: -108.527
Base-Backbone interact. energy: 1.875
local terms energy: -117.833599
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -15.463
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: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -262.784945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.784945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.784945 (E_RNA)
where:
Base-Base interactions energy: -138.984
where: short stacking energy: -74.937
Base-Backbone interact. energy: 1.086
local terms energy: -124.886971
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -28.258
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -154.911936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.911936 (E_RNA)
where:
Base-Base interactions energy: -49.928
where: short stacking energy: -40.632
Base-Backbone interact. energy: -0.533
local terms energy: -104.451545
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -7.640
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: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -141.620577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.620577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.620577 (E_RNA)
where:
Base-Base interactions energy: -60.866
where: short stacking energy: -27.886
Base-Backbone interact. energy: 0.133
local terms energy: -80.887718
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -12.004
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: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -523.125866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.125866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.125866 (E_RNA)
where:
Base-Base interactions energy: -358.365
where: short stacking energy: -147.503
Base-Backbone interact. energy: -1.146
local terms energy: -163.614293
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -45.382
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -487.889484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.889484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.889484 (E_RNA)
where:
Base-Base interactions energy: -339.959
where: short stacking energy: -151.384
Base-Backbone interact. energy: 0.154
local terms energy: -148.085215
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -44.960
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: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -510.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.219777 (E_RNA)
where:
Base-Base interactions energy: -351.278
where: short stacking energy: -150.760
Base-Backbone interact. energy: -0.144
local terms energy: -158.797969
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -48.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -474.315757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.315757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.315757 (E_RNA)
where:
Base-Base interactions energy: -322.294
where: short stacking energy: -135.286
Base-Backbone interact. energy: -0.259
local terms energy: -151.763178
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -42.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -382.106507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.106507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.106507 (E_RNA)
where:
Base-Base interactions energy: -239.103
where: short stacking energy: -114.726
Base-Backbone interact. energy: -0.216
local terms energy: -142.787022
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -36.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -428.734179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.734179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.734179 (E_RNA)
where:
Base-Base interactions energy: -284.478
where: short stacking energy: -123.220
Base-Backbone interact. energy: -0.847
local terms energy: -143.408625
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -39.632
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: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -303.848859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.848859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.848859 (E_RNA)
where:
Base-Base interactions energy: -177.571
where: short stacking energy: -93.489
Base-Backbone interact. energy: -0.365
local terms energy: -125.913107
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -29.563
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -161.975915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.975915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.975915 (E_RNA)
where:
Base-Base interactions energy: -63.524
where: short stacking energy: -46.841
Base-Backbone interact. energy: 0.261
local terms energy: -98.712881
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -229.631866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.631866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.631866 (E_RNA)
where:
Base-Base interactions energy: -136.145
where: short stacking energy: -63.012
Base-Backbone interact. energy: 0.307
local terms energy: -93.794412
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -146.037126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.037126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.037126 (E_RNA)
where:
Base-Base interactions energy: -48.778
where: short stacking energy: -45.869
Base-Backbone interact. energy: 0.662
local terms energy: -97.921616
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -501.368253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.368253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.368253 (E_RNA)
where:
Base-Base interactions energy: -337.947
where: short stacking energy: -133.319
Base-Backbone interact. energy: -1.762
local terms energy: -161.659095
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -504.130850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.130850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.130850 (E_RNA)
where:
Base-Base interactions energy: -343.434
where: short stacking energy: -136.449
Base-Backbone interact. energy: -0.397
local terms energy: -160.299280
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -33.992
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -38.524
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: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -510.474850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.474850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.474850 (E_RNA)
where:
Base-Base interactions energy: -352.443
where: short stacking energy: -132.037
Base-Backbone interact. energy: -0.148
local terms energy: -157.883341
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -46.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -464.637925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.637925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.637925 (E_RNA)
where:
Base-Base interactions energy: -316.736
where: short stacking energy: -132.760
Base-Backbone interact. energy: -0.603
local terms energy: -147.299202
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -430.606777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.606777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.606777 (E_RNA)
where:
Base-Base interactions energy: -289.012
where: short stacking energy: -129.872
Base-Backbone interact. energy: -0.145
local terms energy: -141.450178
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -38.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -385.869823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.869823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.869823 (E_RNA)
where:
Base-Base interactions energy: -254.201
where: short stacking energy: -115.363
Base-Backbone interact. energy: -0.007
local terms energy: -131.661624
where:
bonds (distance) C4'-P energy: -27.687
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -33.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -325.490991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.490991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.490991 (E_RNA)
where:
Base-Base interactions energy: -210.072
where: short stacking energy: -88.937
Base-Backbone interact. energy: -0.869
local terms energy: -114.549835
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -163.936422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.936422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.936422 (E_RNA)
where:
Base-Base interactions energy: -63.642
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.302
local terms energy: -99.992925
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -255.024620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.024620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.024620 (E_RNA)
where:
Base-Base interactions energy: -145.788
where: short stacking energy: -74.879
Base-Backbone interact. energy: 0.353
local terms energy: -109.589095
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -12.990
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: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -146.656280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.656280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.656280 (E_RNA)
where:
Base-Base interactions energy: -54.944
where: short stacking energy: -45.379
Base-Backbone interact. energy: -1.253
local terms energy: -90.458856
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -493.662499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.662499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.662499 (E_RNA)
where:
Base-Base interactions energy: -343.120
where: short stacking energy: -122.843
Base-Backbone interact. energy: -0.894
local terms energy: -149.648468
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -31.327
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: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -506.910014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.910014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.910014 (E_RNA)
where:
Base-Base interactions energy: -352.593
where: short stacking energy: -136.612
Base-Backbone interact. energy: 1.583
local terms energy: -155.900628
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -510.376292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.376292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.376292 (E_RNA)
where:
Base-Base interactions energy: -336.486
where: short stacking energy: -150.599
Base-Backbone interact. energy: -0.829
local terms energy: -173.061659
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -461.370997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.370997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.370997 (E_RNA)
where:
Base-Base interactions energy: -314.586
where: short stacking energy: -131.359
Base-Backbone interact. energy: -1.138
local terms energy: -145.646597
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -41.040
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: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -423.045310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.045310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.045310 (E_RNA)
where:
Base-Base interactions energy: -282.865
where: short stacking energy: -122.444
Base-Backbone interact. energy: -1.096
local terms energy: -139.084151
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -37.987
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: 179
Temperature: 1.150000
Total energy: -397.770992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.770992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.770992 (E_RNA)
where:
Base-Base interactions energy: -260.456
where: short stacking energy: -120.892
Base-Backbone interact. energy: -0.549
local terms energy: -136.766760
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -32.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -317.631424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.631424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.631424 (E_RNA)
where:
Base-Base interactions energy: -193.233
where: short stacking energy: -82.820
Base-Backbone interact. energy: 1.205
local terms energy: -125.603911
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -262.386052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.386052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.386052 (E_RNA)
where:
Base-Base interactions energy: -149.630
where: short stacking energy: -83.720
Base-Backbone interact. energy: -0.163
local terms energy: -112.592399
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -147.896960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.896960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.896960 (E_RNA)
where:
Base-Base interactions energy: -49.418
where: short stacking energy: -35.158
Base-Backbone interact. energy: 0.248
local terms energy: -98.726926
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -21.737
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -144.431455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.431455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.431455 (E_RNA)
where:
Base-Base interactions energy: -47.943
where: short stacking energy: -38.696
Base-Backbone interact. energy: -0.502
local terms energy: -95.986066
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -18.357
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: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -515.763385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.763385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.763385 (E_RNA)
where:
Base-Base interactions energy: -358.651
where: short stacking energy: -148.162
Base-Backbone interact. energy: -0.382
local terms energy: -156.729485
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -42.447
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: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -495.888296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.888296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.888296 (E_RNA)
where:
Base-Base interactions energy: -341.985
where: short stacking energy: -140.050
Base-Backbone interact. energy: -1.070
local terms energy: -152.833224
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -514.777625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.777625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.777625 (E_RNA)
where:
Base-Base interactions energy: -353.854
where: short stacking energy: -146.071
Base-Backbone interact. energy: -0.367
local terms energy: -160.556409
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -44.545
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: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -456.437143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.437143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.437143 (E_RNA)
where:
Base-Base interactions energy: -305.920
where: short stacking energy: -136.736
Base-Backbone interact. energy: -0.818
local terms energy: -149.699322
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -42.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -440.279060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.279060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.279060 (E_RNA)
where:
Base-Base interactions energy: -291.446
where: short stacking energy: -130.928
Base-Backbone interact. energy: 1.369
local terms energy: -150.201485
where:
bonds (distance) C4'-P energy: -24.459
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -46.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -384.888740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.888740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.888740 (E_RNA)
where:
Base-Base interactions energy: -255.245
where: short stacking energy: -121.304
Base-Backbone interact. energy: 0.916
local terms energy: -130.559288
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -33.266
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: 180
Temperature: 1.200000
Total energy: -319.352133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.352133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.352133 (E_RNA)
where:
Base-Base interactions energy: -196.941
where: short stacking energy: -88.601
Base-Backbone interact. energy: -0.266
local terms energy: -122.145606
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -259.674151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.674151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.674151 (E_RNA)
where:
Base-Base interactions energy: -141.949
where: short stacking energy: -70.534
Base-Backbone interact. energy: 1.099
local terms energy: -118.824703
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -145.608704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.608704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.608704 (E_RNA)
where:
Base-Base interactions energy: -55.234
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.203
local terms energy: -90.172309
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -140.426286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.426286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.426286 (E_RNA)
where:
Base-Base interactions energy: -51.102
where: short stacking energy: -43.627
Base-Backbone interact. energy: -0.431
local terms energy: -88.892812
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -527.591867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.591867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.591867 (E_RNA)
where:
Base-Base interactions energy: -360.625
where: short stacking energy: -145.218
Base-Backbone interact. energy: -0.671
local terms energy: -166.296165
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -44.873
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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -504.981182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.981182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.981182 (E_RNA)
where:
Base-Base interactions energy: -346.277
where: short stacking energy: -147.242
Base-Backbone interact. energy: -0.054
local terms energy: -158.650575
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -45.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -478.437292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.437292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.437292 (E_RNA)
where:
Base-Base interactions energy: -320.657
where: short stacking energy: -131.496
Base-Backbone interact. energy: -1.436
local terms energy: -156.344464
where:
bonds (distance) C4'-P energy: -29.962
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: -35.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -456.852101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.852101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.852101 (E_RNA)
where:
Base-Base interactions energy: -300.867
where: short stacking energy: -116.640
Base-Backbone interact. energy: -0.638
local terms energy: -155.346726
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -465.072788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.072788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.072788 (E_RNA)
where:
Base-Base interactions energy: -314.768
where: short stacking energy: -132.754
Base-Backbone interact. energy: 0.993
local terms energy: -151.298257
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -38.763
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -385.611681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.611681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.611681 (E_RNA)
where:
Base-Base interactions energy: -244.499
where: short stacking energy: -115.691
Base-Backbone interact. energy: -0.620
local terms energy: -140.492225
where:
bonds (distance) C4'-P energy: -24.926
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -35.920
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: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -299.412703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.412703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.412703 (E_RNA)
where:
Base-Base interactions energy: -181.799
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.916
local terms energy: -116.698565
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -21.348
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: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -247.155577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.155577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.155577 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -73.994
Base-Backbone interact. energy: 6.060
local terms energy: -115.878604
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -151.689796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.689796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.689796 (E_RNA)
where:
Base-Base interactions energy: -55.979
where: short stacking energy: -45.573
Base-Backbone interact. energy: -1.160
local terms energy: -94.550835
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -181.010440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.010440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.010440 (E_RNA)
where:
Base-Base interactions energy: -84.388
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.394
local terms energy: -96.228719
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -528.923576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.923576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.923576 (E_RNA)
where:
Base-Base interactions energy: -362.289
where: short stacking energy: -148.224
Base-Backbone interact. energy: -0.143
local terms energy: -166.490996
where:
bonds (distance) C4'-P energy: -32.085
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -50.968
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: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -520.584793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.584793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.584793 (E_RNA)
where:
Base-Base interactions energy: -354.823
where: short stacking energy: -163.857
Base-Backbone interact. energy: -0.075
local terms energy: -165.686498
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -44.832
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -477.988277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.988277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.988277 (E_RNA)
where:
Base-Base interactions energy: -325.359
where: short stacking energy: -133.631
Base-Backbone interact. energy: 1.340
local terms energy: -153.969172
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -35.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -447.779277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.779277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.779277 (E_RNA)
where:
Base-Base interactions energy: -291.293
where: short stacking energy: -126.140
Base-Backbone interact. energy: -0.493
local terms energy: -155.993989
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -36.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -464.485549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.485549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.485549 (E_RNA)
where:
Base-Base interactions energy: -304.520
where: short stacking energy: -131.642
Base-Backbone interact. energy: -0.863
local terms energy: -159.102382
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -42.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -374.341162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.341162 (E_RNA)
where:
Base-Base interactions energy: -245.027
where: short stacking energy: -119.943
Base-Backbone interact. energy: -0.729
local terms energy: -128.585318
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -256.148953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.148953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.148953 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -71.774
Base-Backbone interact. energy: 1.869
local terms energy: -109.341232
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -247.476769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.476769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.476769 (E_RNA)
where:
Base-Base interactions energy: -142.809
where: short stacking energy: -78.544
Base-Backbone interact. energy: 1.043
local terms energy: -105.710805
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -190.077937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.077937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.077937 (E_RNA)
where:
Base-Base interactions energy: -84.318
where: short stacking energy: -45.567
Base-Backbone interact. energy: -1.138
local terms energy: -104.621813
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -5.701
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: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -143.649465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.649465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.649465 (E_RNA)
where:
Base-Base interactions energy: -48.190
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.289
local terms energy: -95.170801
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -29.682
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -531.448687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.448687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.448687 (E_RNA)
where:
Base-Base interactions energy: -357.722
where: short stacking energy: -144.871
Base-Backbone interact. energy: 1.865
local terms energy: -175.591482
where:
bonds (distance) C4'-P energy: -31.003
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -51.438
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: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -490.676438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.676438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.676438 (E_RNA)
where:
Base-Base interactions energy: -340.104
where: short stacking energy: -132.929
Base-Backbone interact. energy: -0.721
local terms energy: -149.851959
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -25.966
tors. eta vs tors. theta energy: -41.740
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -507.183334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.183334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.183334 (E_RNA)
where:
Base-Base interactions energy: -351.900
where: short stacking energy: -155.627
Base-Backbone interact. energy: -0.302
local terms energy: -154.980646
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -461.329463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.329463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.329463 (E_RNA)
where:
Base-Base interactions energy: -304.898
where: short stacking energy: -137.741
Base-Backbone interact. energy: -0.050
local terms energy: -156.380838
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -45.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -449.473772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.473772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.473772 (E_RNA)
where:
Base-Base interactions energy: -305.030
where: short stacking energy: -136.077
Base-Backbone interact. energy: -0.266
local terms energy: -144.177807
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -37.274
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: 183
Temperature: 1.150000
Total energy: -293.156373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.156373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.156373 (E_RNA)
where:
Base-Base interactions energy: -178.739
where: short stacking energy: -96.783
Base-Backbone interact. energy: -0.321
local terms energy: -114.095699
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -352.128609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.128609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.128609 (E_RNA)
where:
Base-Base interactions energy: -219.293
where: short stacking energy: -98.659
Base-Backbone interact. energy: -0.165
local terms energy: -132.670500
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -201.904732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.904732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.904732 (E_RNA)
where:
Base-Base interactions energy: -82.789
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.403
local terms energy: -118.713326
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -230.671359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671359 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -54.698
Base-Backbone interact. energy: -1.044
local terms energy: -106.286174
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -141.894438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.894438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.894438 (E_RNA)
where:
Base-Base interactions energy: -63.688
where: short stacking energy: -48.468
Base-Backbone interact. energy: -0.301
local terms energy: -77.905307
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -528.684036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.684036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.684036 (E_RNA)
where:
Base-Base interactions energy: -370.261
where: short stacking energy: -154.378
Base-Backbone interact. energy: -0.709
local terms energy: -157.714032
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -33.551
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -44.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -506.401599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.401599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.401599 (E_RNA)
where:
Base-Base interactions energy: -346.118
where: short stacking energy: -141.683
Base-Backbone interact. energy: -0.487
local terms energy: -159.796768
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -39.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -503.182333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.182333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.182333 (E_RNA)
where:
Base-Base interactions energy: -353.458
where: short stacking energy: -137.554
Base-Backbone interact. energy: -0.835
local terms energy: -148.890170
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -40.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -471.637468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.637468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.637468 (E_RNA)
where:
Base-Base interactions energy: -312.921
where: short stacking energy: -138.025
Base-Backbone interact. energy: -0.274
local terms energy: -158.442377
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -33.523
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -440.287838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.287838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.287838 (E_RNA)
where:
Base-Base interactions energy: -291.986
where: short stacking energy: -120.645
Base-Backbone interact. energy: 0.550
local terms energy: -148.851629
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -36.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -271.498923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.498923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.498923 (E_RNA)
where:
Base-Base interactions energy: -148.350
where: short stacking energy: -71.932
Base-Backbone interact. energy: -1.100
local terms energy: -122.048846
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -351.022696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.022696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.022696 (E_RNA)
where:
Base-Base interactions energy: -243.009
where: short stacking energy: -116.628
Base-Backbone interact. energy: -0.234
local terms energy: -107.779520
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -212.270353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.270353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.270353 (E_RNA)
where:
Base-Base interactions energy: -114.376
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.288
local terms energy: -97.607220
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -160.451107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.451107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.451107 (E_RNA)
where:
Base-Base interactions energy: -59.764
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.956
local terms energy: -99.730844
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -195.522519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.522519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.522519 (E_RNA)
where:
Base-Base interactions energy: -105.641
where: short stacking energy: -53.881
Base-Backbone interact. energy: -1.836
local terms energy: -88.045479
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -16.145
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -526.842485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.842485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.842485 (E_RNA)
where:
Base-Base interactions energy: -360.937
where: short stacking energy: -148.551
Base-Backbone interact. energy: 0.675
local terms energy: -166.580467
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -45.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -523.059108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.059108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.059108 (E_RNA)
where:
Base-Base interactions energy: -352.972
where: short stacking energy: -145.012
Base-Backbone interact. energy: -0.633
local terms energy: -169.454335
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -49.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -478.698365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.698365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.698365 (E_RNA)
where:
Base-Base interactions energy: -336.230
where: short stacking energy: -124.732
Base-Backbone interact. energy: -1.211
local terms energy: -141.256983
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -38.285
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -466.573888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.573888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.573888 (E_RNA)
where:
Base-Base interactions energy: -320.352
where: short stacking energy: -131.666
Base-Backbone interact. energy: -0.279
local terms energy: -145.942664
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -31.710
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -37.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -444.545727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.545727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.545727 (E_RNA)
where:
Base-Base interactions energy: -297.631
where: short stacking energy: -131.735
Base-Backbone interact. energy: -0.858
local terms energy: -146.057349
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -41.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -377.790418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.790418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.790418 (E_RNA)
where:
Base-Base interactions energy: -241.344
where: short stacking energy: -119.465
Base-Backbone interact. energy: -0.452
local terms energy: -135.994740
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -33.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -268.759968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.759968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.759968 (E_RNA)
where:
Base-Base interactions energy: -157.035
where: short stacking energy: -74.294
Base-Backbone interact. energy: -0.421
local terms energy: -111.304064
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -11.002
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: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -217.609947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.609947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.609947 (E_RNA)
where:
Base-Base interactions energy: -120.300
where: short stacking energy: -73.394
Base-Backbone interact. energy: 2.016
local terms energy: -99.326122
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -29.300
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -167.847578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.847578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.847578 (E_RNA)
where:
Base-Base interactions energy: -73.430
where: short stacking energy: -50.512
Base-Backbone interact. energy: -0.545
local terms energy: -93.872687
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -141.135204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.135204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.135204 (E_RNA)
where:
Base-Base interactions energy: -54.433
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.579
local terms energy: -86.123600
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -12.177
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: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -524.430274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.430274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.430274 (E_RNA)
where:
Base-Base interactions energy: -363.411
where: short stacking energy: -150.696
Base-Backbone interact. energy: -0.506
local terms energy: -160.513434
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -43.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -515.586738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.586738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.586738 (E_RNA)
where:
Base-Base interactions energy: -353.876
where: short stacking energy: -162.375
Base-Backbone interact. energy: -0.547
local terms energy: -161.163848
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -477.625131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.625131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.625131 (E_RNA)
where:
Base-Base interactions energy: -325.865
where: short stacking energy: -146.791
Base-Backbone interact. energy: -0.038
local terms energy: -151.722045
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -42.546
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: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -479.429478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.429478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.429478 (E_RNA)
where:
Base-Base interactions energy: -321.107
where: short stacking energy: -122.080
Base-Backbone interact. energy: -0.339
local terms energy: -157.983689
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -441.275178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.275178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.275178 (E_RNA)
where:
Base-Base interactions energy: -292.429
where: short stacking energy: -129.798
Base-Backbone interact. energy: -0.140
local terms energy: -148.706576
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -43.911
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: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -407.470350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.470350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.470350 (E_RNA)
where:
Base-Base interactions energy: -258.449
where: short stacking energy: -132.649
Base-Backbone interact. energy: -0.262
local terms energy: -148.759098
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -44.980
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: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -217.459388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.459388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.459388 (E_RNA)
where:
Base-Base interactions energy: -113.902
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.298
local terms energy: -103.259192
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -261.890847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.890847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.890847 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -81.057
Base-Backbone interact. energy: -0.097
local terms energy: -119.993724
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -146.724148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.724148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.724148 (E_RNA)
where:
Base-Base interactions energy: -47.341
where: short stacking energy: -41.243
Base-Backbone interact. energy: -0.022
local terms energy: -99.360661
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -135.724801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.724801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.724801 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.710
local terms energy: -88.682438
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -30.882
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -521.262752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.262752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.262752 (E_RNA)
where:
Base-Base interactions energy: -355.547
where: short stacking energy: -150.424
Base-Backbone interact. energy: -0.307
local terms energy: -165.408576
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -44.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -513.446175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.446175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.446175 (E_RNA)
where:
Base-Base interactions energy: -354.994
where: short stacking energy: -143.816
Base-Backbone interact. energy: -0.074
local terms energy: -158.377856
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -484.947503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.947503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.947503 (E_RNA)
where:
Base-Base interactions energy: -321.241
where: short stacking energy: -138.388
Base-Backbone interact. energy: -0.019
local terms energy: -163.687037
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -42.811
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -464.065302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.065302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.065302 (E_RNA)
where:
Base-Base interactions energy: -314.788
where: short stacking energy: -131.654
Base-Backbone interact. energy: -1.029
local terms energy: -148.248748
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -37.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -433.855283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.855283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.855283 (E_RNA)
where:
Base-Base interactions energy: -289.537
where: short stacking energy: -134.252
Base-Backbone interact. energy: 0.073
local terms energy: -144.391609
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -38.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -390.713486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.713486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.713486 (E_RNA)
where:
Base-Base interactions energy: -255.138
where: short stacking energy: -111.171
Base-Backbone interact. energy: -0.715
local terms energy: -134.860216
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -17.135
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -219.524316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.524316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.524316 (E_RNA)
where:
Base-Base interactions energy: -109.020
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.645
local terms energy: -109.859891
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -259.093484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.093484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.093484 (E_RNA)
where:
Base-Base interactions energy: -148.521
where: short stacking energy: -84.186
Base-Backbone interact. energy: -0.197
local terms energy: -110.374598
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -152.049604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.049604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.049604 (E_RNA)
where:
Base-Base interactions energy: -57.693
where: short stacking energy: -36.361
Base-Backbone interact. energy: -1.384
local terms energy: -92.973191
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -142.570443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.570443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.570443 (E_RNA)
where:
Base-Base interactions energy: -47.410
where: short stacking energy: -38.521
Base-Backbone interact. energy: 1.719
local terms energy: -96.879820
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -19.169
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: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -538.274749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.274749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.274749 (E_RNA)
where:
Base-Base interactions energy: -360.881
where: short stacking energy: -158.807
Base-Backbone interact. energy: -0.751
local terms energy: -176.642424
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -49.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -507.859168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.859168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.859168 (E_RNA)
where:
Base-Base interactions energy: -346.379
where: short stacking energy: -140.736
Base-Backbone interact. energy: -0.552
local terms energy: -160.927445
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -36.363
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -493.866846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.866846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.866846 (E_RNA)
where:
Base-Base interactions energy: -329.410
where: short stacking energy: -145.129
Base-Backbone interact. energy: -0.205
local terms energy: -164.251189
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -43.145
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -458.204102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.204102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.204102 (E_RNA)
where:
Base-Base interactions energy: -331.404
where: short stacking energy: -124.856
Base-Backbone interact. energy: -0.384
local terms energy: -126.415703
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -28.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -435.142044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.142044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.142044 (E_RNA)
where:
Base-Base interactions energy: -291.840
where: short stacking energy: -130.288
Base-Backbone interact. energy: -0.698
local terms energy: -142.603370
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -41.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -396.560232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.560232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.560232 (E_RNA)
where:
Base-Base interactions energy: -253.916
where: short stacking energy: -111.582
Base-Backbone interact. energy: -0.075
local terms energy: -142.569780
where:
bonds (distance) C4'-P energy: -30.415
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -39.339
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: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -271.643811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.643811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.643811 (E_RNA)
where:
Base-Base interactions energy: -169.555
where: short stacking energy: -94.198
Base-Backbone interact. energy: -0.635
local terms energy: -101.454264
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -193.035006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.035006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.035006 (E_RNA)
where:
Base-Base interactions energy: -97.498
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.828
local terms energy: -94.708505
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -140.152621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.152621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.152621 (E_RNA)
where:
Base-Base interactions energy: -43.451
where: short stacking energy: -38.413
Base-Backbone interact. energy: 1.997
local terms energy: -98.698562
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -133.592905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.592905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.592905 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.176
local terms energy: -97.440993
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -23.357
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: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -528.461967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.461967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.461967 (E_RNA)
where:
Base-Base interactions energy: -362.799
where: short stacking energy: -145.545
Base-Backbone interact. energy: -0.022
local terms energy: -165.640777
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: -46.748
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -517.828289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.828289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.828289 (E_RNA)
where:
Base-Base interactions energy: -350.277
where: short stacking energy: -146.952
Base-Backbone interact. energy: -1.835
local terms energy: -165.716851
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -46.060
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -480.751700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.751700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.751700 (E_RNA)
where:
Base-Base interactions energy: -333.732
where: short stacking energy: -146.380
Base-Backbone interact. energy: -0.253
local terms energy: -146.766107
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -47.453
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: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -448.351529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.351529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.351529 (E_RNA)
where:
Base-Base interactions energy: -294.429
where: short stacking energy: -123.341
Base-Backbone interact. energy: -0.163
local terms energy: -153.759044
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -38.495
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: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -426.560319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.560319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.560319 (E_RNA)
where:
Base-Base interactions energy: -289.109
where: short stacking energy: -126.361
Base-Backbone interact. energy: 2.199
local terms energy: -139.650550
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -382.294681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.294681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.294681 (E_RNA)
where:
Base-Base interactions energy: -240.801
where: short stacking energy: -114.248
Base-Backbone interact. energy: -0.213
local terms energy: -141.280875
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -21.133
tors. eta vs tors. theta energy: -32.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -270.131444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.131444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.131444 (E_RNA)
where:
Base-Base interactions energy: -155.712
where: short stacking energy: -70.216
Base-Backbone interact. energy: 1.936
local terms energy: -116.355053
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -163.352971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.352971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.352971 (E_RNA)
where:
Base-Base interactions energy: -60.714
where: short stacking energy: -55.139
Base-Backbone interact. energy: -0.269
local terms energy: -102.370759
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -157.384285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.384285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.384285 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.767
local terms energy: -110.307838
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -149.103356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.103356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.103356 (E_RNA)
where:
Base-Base interactions energy: -68.981
where: short stacking energy: -49.958
Base-Backbone interact. energy: 0.021
local terms energy: -80.144106
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -533.937129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.937129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.937129 (E_RNA)
where:
Base-Base interactions energy: -371.017
where: short stacking energy: -150.275
Base-Backbone interact. energy: -0.133
local terms energy: -162.787468
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -43.707
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: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -518.458287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.458287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.458287 (E_RNA)
where:
Base-Base interactions energy: -349.189
where: short stacking energy: -142.502
Base-Backbone interact. energy: -0.177
local terms energy: -169.092848
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -39.725
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -457.915254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.915254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.915254 (E_RNA)
where:
Base-Base interactions energy: -304.311
where: short stacking energy: -131.865
Base-Backbone interact. energy: -0.916
local terms energy: -152.688033
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -471.030457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.030457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.030457 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -141.702
Base-Backbone interact. energy: -0.103
local terms energy: -144.126334
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -38.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -417.067344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.067344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.067344 (E_RNA)
where:
Base-Base interactions energy: -262.339
where: short stacking energy: -134.710
Base-Backbone interact. energy: 3.503
local terms energy: -158.231377
where:
bonds (distance) C4'-P energy: -30.083
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -423.587808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.587808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.587808 (E_RNA)
where:
Base-Base interactions energy: -279.339
where: short stacking energy: -113.599
Base-Backbone interact. energy: -0.679
local terms energy: -143.569490
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -27.333
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: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -270.616060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.616060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.616060 (E_RNA)
where:
Base-Base interactions energy: -170.334
where: short stacking energy: -92.308
Base-Backbone interact. energy: -0.377
local terms energy: -99.904901
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -167.688586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.688586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.688586 (E_RNA)
where:
Base-Base interactions energy: -69.638
where: short stacking energy: -36.533
Base-Backbone interact. energy: -1.090
local terms energy: -96.961084
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: 0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -149.444263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.444263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.444263 (E_RNA)
where:
Base-Base interactions energy: -59.920
where: short stacking energy: -57.617
Base-Backbone interact. energy: 0.736
local terms energy: -90.260482
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -136.635050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.635050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.635050 (E_RNA)
where:
Base-Base interactions energy: -48.281
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.794
local terms energy: -87.560180
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -531.381777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.381777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.381777 (E_RNA)
where:
Base-Base interactions energy: -357.644
where: short stacking energy: -146.501
Base-Backbone interact. energy: -1.002
local terms energy: -172.735073
where:
bonds (distance) C4'-P energy: -32.013
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -509.671480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.671480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.671480 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -153.089
Base-Backbone interact. energy: -0.956
local terms energy: -162.812223
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -44.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -456.739045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.739045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.739045 (E_RNA)
where:
Base-Base interactions energy: -302.994
where: short stacking energy: -138.933
Base-Backbone interact. energy: -0.594
local terms energy: -153.150919
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -459.806248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.806248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.806248 (E_RNA)
where:
Base-Base interactions energy: -311.420
where: short stacking energy: -143.018
Base-Backbone interact. energy: -0.076
local terms energy: -148.309919
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -37.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -378.305693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.305693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.305693 (E_RNA)
where:
Base-Base interactions energy: -239.606
where: short stacking energy: -102.533
Base-Backbone interact. energy: -0.410
local terms energy: -138.290010
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -415.907031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.907031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.907031 (E_RNA)
where:
Base-Base interactions energy: -269.042
where: short stacking energy: -113.777
Base-Backbone interact. energy: -0.323
local terms energy: -146.542866
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -34.881
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: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -276.142233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.142233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.142233 (E_RNA)
where:
Base-Base interactions energy: -166.038
where: short stacking energy: -85.109
Base-Backbone interact. energy: 0.413
local terms energy: -110.517553
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -28.207
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -195.487204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487204 (E_RNA)
where:
Base-Base interactions energy: -103.763
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.505
local terms energy: -91.219254
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -25.237
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -164.151508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.151508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.151508 (E_RNA)
where:
Base-Base interactions energy: -62.122
where: short stacking energy: -43.388
Base-Backbone interact. energy: -0.173
local terms energy: -101.856565
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -17.977
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -151.931821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.931821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.931821 (E_RNA)
where:
Base-Base interactions energy: -52.491
where: short stacking energy: -52.491
Base-Backbone interact. energy: -0.037
local terms energy: -99.404368
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -28.197
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -532.032372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.032372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.032372 (E_RNA)
where:
Base-Base interactions energy: -372.417
where: short stacking energy: -146.771
Base-Backbone interact. energy: -0.118
local terms energy: -159.496990
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -518.613826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.613826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.613826 (E_RNA)
where:
Base-Base interactions energy: -342.255
where: short stacking energy: -145.895
Base-Backbone interact. energy: -0.002
local terms energy: -176.356055
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -48.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -469.069352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.069352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.069352 (E_RNA)
where:
Base-Base interactions energy: -313.596
where: short stacking energy: -133.883
Base-Backbone interact. energy: 0.543
local terms energy: -156.015796
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -40.681
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: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -454.660928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.660928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.660928 (E_RNA)
where:
Base-Base interactions energy: -299.917
where: short stacking energy: -141.059
Base-Backbone interact. energy: -0.125
local terms energy: -154.619034
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -46.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -423.236478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.236478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.236478 (E_RNA)
where:
Base-Base interactions energy: -291.140
where: short stacking energy: -117.823
Base-Backbone interact. energy: 0.669
local terms energy: -132.765834
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -365.905570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.905570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.905570 (E_RNA)
where:
Base-Base interactions energy: -243.470
where: short stacking energy: -109.702
Base-Backbone interact. energy: 2.319
local terms energy: -124.754270
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -23.245
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: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -253.899866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.899866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.899866 (E_RNA)
where:
Base-Base interactions energy: -147.162
where: short stacking energy: -84.357
Base-Backbone interact. energy: 0.036
local terms energy: -106.774393
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -231.615413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.615413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615413 (E_RNA)
where:
Base-Base interactions energy: -121.440
where: short stacking energy: -72.782
Base-Backbone interact. energy: 1.533
local terms energy: -111.708424
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -157.237897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.237897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.237897 (E_RNA)
where:
Base-Base interactions energy: -70.268
where: short stacking energy: -45.230
Base-Backbone interact. energy: -0.503
local terms energy: -86.466553
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -6.703
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: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -136.029987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.029987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.029987 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.911
local terms energy: -92.972170
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: 4.462
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: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -540.458993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.458993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.458993 (E_RNA)
where:
Base-Base interactions energy: -369.430
where: short stacking energy: -153.230
Base-Backbone interact. energy: -0.300
local terms energy: -170.728859
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -38.465
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -521.344743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.344743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.344743 (E_RNA)
where:
Base-Base interactions energy: -358.927
where: short stacking energy: -156.784
Base-Backbone interact. energy: -0.573
local terms energy: -161.843828
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -48.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -479.011621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.011621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.011621 (E_RNA)
where:
Base-Base interactions energy: -315.750
where: short stacking energy: -136.855
Base-Backbone interact. energy: -2.154
local terms energy: -161.108494
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -44.329
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: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -449.268921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.268921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.268921 (E_RNA)
where:
Base-Base interactions energy: -296.970
where: short stacking energy: -129.848
Base-Backbone interact. energy: -0.079
local terms energy: -152.220105
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -42.130
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: 193
Temperature: 1.100000
Total energy: -409.083889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.083889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.083889 (E_RNA)
where:
Base-Base interactions energy: -285.951
where: short stacking energy: -108.893
Base-Backbone interact. energy: 0.213
local terms energy: -123.346707
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -24.628
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: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -373.895072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.895072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.895072 (E_RNA)
where:
Base-Base interactions energy: -240.986
where: short stacking energy: -112.975
Base-Backbone interact. energy: 1.349
local terms energy: -134.258185
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -28.321
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -241.750485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.750485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.750485 (E_RNA)
where:
Base-Base interactions energy: -139.486
where: short stacking energy: -80.062
Base-Backbone interact. energy: 0.371
local terms energy: -102.635366
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -246.555462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.555462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.555462 (E_RNA)
where:
Base-Base interactions energy: -128.944
where: short stacking energy: -70.699
Base-Backbone interact. energy: 0.266
local terms energy: -117.877953
where:
bonds (distance) C4'-P energy: -28.611
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -151.274236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.274236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.274236 (E_RNA)
where:
Base-Base interactions energy: -50.641
where: short stacking energy: -36.770
Base-Backbone interact. energy: -0.174
local terms energy: -100.458861
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -8.017
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: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -135.250864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.250864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.250864 (E_RNA)
where:
Base-Base interactions energy: -59.458
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.249
local terms energy: -75.544370
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: 2.408
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -542.965447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.965447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.965447 (E_RNA)
where:
Base-Base interactions energy: -365.213
where: short stacking energy: -169.397
Base-Backbone interact. energy: -0.576
local terms energy: -177.176205
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -39.980
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -49.929
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: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -521.019059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.019059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.019059 (E_RNA)
where:
Base-Base interactions energy: -367.338
where: short stacking energy: -148.082
Base-Backbone interact. energy: -0.135
local terms energy: -153.545679
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -46.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -460.821174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.821174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.821174 (E_RNA)
where:
Base-Base interactions energy: -302.514
where: short stacking energy: -137.457
Base-Backbone interact. energy: -0.023
local terms energy: -158.284518
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -35.676
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -42.909
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -478.021426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.021426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.021426 (E_RNA)
where:
Base-Base interactions energy: -326.606
where: short stacking energy: -137.139
Base-Backbone interact. energy: -0.692
local terms energy: -150.723443
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -418.644755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.644755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.644755 (E_RNA)
where:
Base-Base interactions energy: -268.465
where: short stacking energy: -118.311
Base-Backbone interact. energy: -0.061
local terms energy: -150.118487
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -30.643
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -368.098268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.098268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.098268 (E_RNA)
where:
Base-Base interactions energy: -234.680
where: short stacking energy: -117.077
Base-Backbone interact. energy: -0.489
local terms energy: -132.929082
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -32.841
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: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -252.980697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.980697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.980697 (E_RNA)
where:
Base-Base interactions energy: -138.590
where: short stacking energy: -80.166
Base-Backbone interact. energy: -0.280
local terms energy: -114.111001
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -215.620896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620896 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.371
local terms energy: -108.020514
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -161.093044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.093044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.093044 (E_RNA)
where:
Base-Base interactions energy: -55.947
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.224
local terms energy: -104.922093
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -32.597
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -1.612
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: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -145.533525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.533525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.533525 (E_RNA)
where:
Base-Base interactions energy: -47.905
where: short stacking energy: -45.775
Base-Backbone interact. energy: -0.488
local terms energy: -97.139895
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -523.470038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.470038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.470038 (E_RNA)
where:
Base-Base interactions energy: -361.110
where: short stacking energy: -146.228
Base-Backbone interact. energy: -0.554
local terms energy: -161.805998
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -43.159
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -476.233414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.233414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.233414 (E_RNA)
where:
Base-Base interactions energy: -320.607
where: short stacking energy: -146.439
Base-Backbone interact. energy: -0.005
local terms energy: -155.621045
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -39.169
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: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -512.735736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.735736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.735736 (E_RNA)
where:
Base-Base interactions energy: -356.398
where: short stacking energy: -155.218
Base-Backbone interact. energy: -0.231
local terms energy: -156.106862
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -45.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -468.985237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.985237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.985237 (E_RNA)
where:
Base-Base interactions energy: -323.043
where: short stacking energy: -141.306
Base-Backbone interact. energy: -0.399
local terms energy: -145.543203
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -45.039
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -415.255801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.255801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.255801 (E_RNA)
where:
Base-Base interactions energy: -277.162
where: short stacking energy: -118.042
Base-Backbone interact. energy: -1.884
local terms energy: -136.210133
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -31.486
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -386.938359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.938359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.938359 (E_RNA)
where:
Base-Base interactions energy: -249.855
where: short stacking energy: -118.699
Base-Backbone interact. energy: -0.847
local terms energy: -136.236086
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -29.130
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -33.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -258.937658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.937658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.937658 (E_RNA)
where:
Base-Base interactions energy: -147.287
where: short stacking energy: -85.951
Base-Backbone interact. energy: 0.743
local terms energy: -112.393495
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -234.807381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.807381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.807381 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.921
local terms energy: -113.699317
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -166.202612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.202612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.202612 (E_RNA)
where:
Base-Base interactions energy: -68.015
where: short stacking energy: -36.932
Base-Backbone interact. energy: -1.080
local terms energy: -97.107577
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -134.488198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.488198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.488198 (E_RNA)
where:
Base-Base interactions energy: -55.178
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.375
local terms energy: -78.934388
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: 1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -525.496645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.496645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.496645 (E_RNA)
where:
Base-Base interactions energy: -355.708
where: short stacking energy: -160.338
Base-Backbone interact. energy: -0.011
local terms energy: -169.777863
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -32.360
flat angles C4'-P-C4' energy: -36.749
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -47.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -475.093955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.093955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.093955 (E_RNA)
where:
Base-Base interactions energy: -313.810
where: short stacking energy: -148.172
Base-Backbone interact. energy: -0.092
local terms energy: -161.192569
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -42.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -472.872629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.872629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.872629 (E_RNA)
where:
Base-Base interactions energy: -312.221
where: short stacking energy: -131.753
Base-Backbone interact. energy: -0.300
local terms energy: -160.351486
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -25.846
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -498.924066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.924066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.924066 (E_RNA)
where:
Base-Base interactions energy: -341.093
where: short stacking energy: -138.290
Base-Backbone interact. energy: -0.023
local terms energy: -157.807393
where:
bonds (distance) C4'-P energy: -30.237
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -44.266
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: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -423.519461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.519461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.519461 (E_RNA)
where:
Base-Base interactions energy: -290.053
where: short stacking energy: -106.449
Base-Backbone interact. energy: -0.719
local terms energy: -132.746482
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -15.239
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: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -364.354060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.354060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.354060 (E_RNA)
where:
Base-Base interactions energy: -240.929
where: short stacking energy: -108.564
Base-Backbone interact. energy: -0.526
local terms energy: -122.899784
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -23.261
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: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -274.557035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.557035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.557035 (E_RNA)
where:
Base-Base interactions energy: -155.627
where: short stacking energy: -81.731
Base-Backbone interact. energy: -0.161
local terms energy: -118.769188
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -18.862
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: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -247.891945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.891945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.891945 (E_RNA)
where:
Base-Base interactions energy: -141.126
where: short stacking energy: -72.081
Base-Backbone interact. energy: 3.041
local terms energy: -109.807199
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -28.747
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -154.475365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.475365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.475365 (E_RNA)
where:
Base-Base interactions energy: -57.381
where: short stacking energy: -43.832
Base-Backbone interact. energy: 1.177
local terms energy: -98.271137
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -138.704916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.704916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.704916 (E_RNA)
where:
Base-Base interactions energy: -49.155
where: short stacking energy: -33.856
Base-Backbone interact. energy: 2.857
local terms energy: -92.406649
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -532.167525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.167525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.167525 (E_RNA)
where:
Base-Base interactions energy: -366.104
where: short stacking energy: -160.071
Base-Backbone interact. energy: 0.380
local terms energy: -166.443365
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -48.184
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: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -485.494038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.494038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.494038 (E_RNA)
where:
Base-Base interactions energy: -328.088
where: short stacking energy: -141.592
Base-Backbone interact. energy: -0.509
local terms energy: -156.896108
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -30.464
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -45.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -442.462021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.462021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.462021 (E_RNA)
where:
Base-Base interactions energy: -300.733
where: short stacking energy: -132.489
Base-Backbone interact. energy: -0.120
local terms energy: -141.609282
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -38.270
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: 197
Temperature: 1.050000
Total energy: -506.988379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.988379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.988379 (E_RNA)
where:
Base-Base interactions energy: -337.533
where: short stacking energy: -148.514
Base-Backbone interact. energy: -0.209
local terms energy: -169.245566
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -48.258
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: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -451.797767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.797767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.797767 (E_RNA)
where:
Base-Base interactions energy: -301.316
where: short stacking energy: -124.841
Base-Backbone interact. energy: -0.764
local terms energy: -149.717766
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -34.282
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: 197
Temperature: 1.150000
Total energy: -358.586272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.586272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.586272 (E_RNA)
where:
Base-Base interactions energy: -224.621
where: short stacking energy: -88.607
Base-Backbone interact. energy: 1.969
local terms energy: -135.934288
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -25.498
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: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -274.464046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.464046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.464046 (E_RNA)
where:
Base-Base interactions energy: -167.818
where: short stacking energy: -87.639
Base-Backbone interact. energy: 0.461
local terms energy: -107.106568
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -25.384
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -237.454823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.454823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.454823 (E_RNA)
where:
Base-Base interactions energy: -117.995
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.511
local terms energy: -118.948371
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -145.252179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.252179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.252179 (E_RNA)
where:
Base-Base interactions energy: -64.255
where: short stacking energy: -44.891
Base-Backbone interact. energy: 2.264
local terms energy: -83.261868
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -146.146634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.146634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.146634 (E_RNA)
where:
Base-Base interactions energy: -53.833
where: short stacking energy: -51.180
Base-Backbone interact. energy: 0.975
local terms energy: -93.288175
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -32.145
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: 0.263
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -534.907876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.907876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.907876 (E_RNA)
where:
Base-Base interactions energy: -376.333
where: short stacking energy: -157.548
Base-Backbone interact. energy: -0.027
local terms energy: -158.548143
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -492.551166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.551166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.551166 (E_RNA)
where:
Base-Base interactions energy: -341.199
where: short stacking energy: -145.368
Base-Backbone interact. energy: -0.250
local terms energy: -151.102843
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -31.977
flat angles C4'-P-C4' energy: -31.590
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -40.523
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: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -511.628355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.628355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.628355 (E_RNA)
where:
Base-Base interactions energy: -344.776
where: short stacking energy: -149.406
Base-Backbone interact. energy: -0.331
local terms energy: -166.520690
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -44.220
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: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -428.905069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.905069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.905069 (E_RNA)
where:
Base-Base interactions energy: -299.975
where: short stacking energy: -131.740
Base-Backbone interact. energy: -1.225
local terms energy: -127.705506
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -20.742
tors. eta vs tors. theta energy: -30.500
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: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -435.257174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.257174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.257174 (E_RNA)
where:
Base-Base interactions energy: -295.307
where: short stacking energy: -141.499
Base-Backbone interact. energy: 0.111
local terms energy: -140.060504
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -41.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -427.306998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.306998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.306998 (E_RNA)
where:
Base-Base interactions energy: -298.047
where: short stacking energy: -121.242
Base-Backbone interact. energy: -0.429
local terms energy: -128.830909
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -29.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -275.956396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.956396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.956396 (E_RNA)
where:
Base-Base interactions energy: -155.692
where: short stacking energy: -86.593
Base-Backbone interact. energy: -0.823
local terms energy: -119.440994
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -216.051532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.051532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.051532 (E_RNA)
where:
Base-Base interactions energy: -114.652
where: short stacking energy: -54.435
Base-Backbone interact. energy: -1.261
local terms energy: -100.138805
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -147.524868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.524868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.524868 (E_RNA)
where:
Base-Base interactions energy: -47.115
where: short stacking energy: -34.168
Base-Backbone interact. energy: 1.420
local terms energy: -101.829667
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -144.289982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.289982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.289982 (E_RNA)
where:
Base-Base interactions energy: -52.917
where: short stacking energy: -47.302
Base-Backbone interact. energy: -0.598
local terms energy: -90.775236
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -9.775
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -530.390660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.390660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.390660 (E_RNA)
where:
Base-Base interactions energy: -368.525
where: short stacking energy: -156.221
Base-Backbone interact. energy: -0.003
local terms energy: -161.862037
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -48.532
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -511.143662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.143662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.143662 (E_RNA)
where:
Base-Base interactions energy: -350.574
where: short stacking energy: -149.860
Base-Backbone interact. energy: -0.259
local terms energy: -160.310398
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -44.411
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: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -481.508267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.508267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.508267 (E_RNA)
where:
Base-Base interactions energy: -314.235
where: short stacking energy: -134.492
Base-Backbone interact. energy: -0.038
local terms energy: -167.234628
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -42.216
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: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -448.752203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.752203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.752203 (E_RNA)
where:
Base-Base interactions energy: -301.023
where: short stacking energy: -129.570
Base-Backbone interact. energy: -0.005
local terms energy: -147.723971
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -42.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -450.515679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.515679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.515679 (E_RNA)
where:
Base-Base interactions energy: -301.782
where: short stacking energy: -128.625
Base-Backbone interact. energy: -1.642
local terms energy: -147.091808
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -28.001
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -412.496014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.496014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.496014 (E_RNA)
where:
Base-Base interactions energy: -276.202
where: short stacking energy: -121.486
Base-Backbone interact. energy: -0.493
local terms energy: -135.801665
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -263.109786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.109786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.109786 (E_RNA)
where:
Base-Base interactions energy: -150.181
where: short stacking energy: -85.769
Base-Backbone interact. energy: 0.379
local terms energy: -113.307652
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -29.786
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -153.896591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.896591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.896591 (E_RNA)
where:
Base-Base interactions energy: -51.168
where: short stacking energy: -49.177
Base-Backbone interact. energy: -0.731
local terms energy: -101.996844
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -7.161
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: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -186.002467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.002467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.002467 (E_RNA)
where:
Base-Base interactions energy: -94.497
where: short stacking energy: -45.246
Base-Backbone interact. energy: -0.947
local terms energy: -90.559141
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -13.903
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: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -156.718884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.718884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.718884 (E_RNA)
where:
Base-Base interactions energy: -59.098
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.107
local terms energy: -97.514077
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -529.069487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.069487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.069487 (E_RNA)
where:
Base-Base interactions energy: -363.546
where: short stacking energy: -161.507
Base-Backbone interact. energy: 0.814
local terms energy: -166.337162
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -44.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -520.201835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.201835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.201835 (E_RNA)
where:
Base-Base interactions energy: -360.001
where: short stacking energy: -131.737
Base-Backbone interact. energy: -1.330
local terms energy: -158.870323
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -37.798
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: 200
Temperature: 1.000000
Total energy: -473.603524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.603524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.603524 (E_RNA)
where:
Base-Base interactions energy: -323.329
where: short stacking energy: -137.394
Base-Backbone interact. energy: -0.340
local terms energy: -149.935115
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -36.075
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -40.446
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -451.098041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.098041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.098041 (E_RNA)
where:
Base-Base interactions energy: -303.447
where: short stacking energy: -141.226
Base-Backbone interact. energy: 0.337
local terms energy: -147.987837
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -41.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -465.808098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.808098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.808098 (E_RNA)
where:
Base-Base interactions energy: -311.261
where: short stacking energy: -126.050
Base-Backbone interact. energy: -0.942
local terms energy: -153.605366
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -28.646
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -36.895
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: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -404.184502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.184502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.184502 (E_RNA)
where:
Base-Base interactions energy: -257.022
where: short stacking energy: -109.336
Base-Backbone interact. energy: -0.226
local terms energy: -146.935873
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -32.845
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: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -272.186191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.186191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.186191 (E_RNA)
where:
Base-Base interactions energy: -156.749
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.399
local terms energy: -115.037633
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -22.444
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -200.446787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.446787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.446787 (E_RNA)
where:
Base-Base interactions energy: -96.687
where: short stacking energy: -62.669
Base-Backbone interact. energy: -1.954
local terms energy: -101.805159
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -145.263449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.263449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.263449 (E_RNA)
where:
Base-Base interactions energy: -43.894
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.747
local terms energy: -100.622153
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: 1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -139.978926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.978926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.978926 (E_RNA)
where:
Base-Base interactions energy: -55.796
where: short stacking energy: -53.267
Base-Backbone interact. energy: 0.224
local terms energy: -84.406695
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -13.079
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: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -528.603931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.603931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.603931 (E_RNA)
where:
Base-Base interactions energy: -357.676
where: short stacking energy: -149.062
Base-Backbone interact. energy: -0.108
local terms energy: -170.820083
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -46.093
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: 201
Temperature: 0.950000
Total energy: -494.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.152915 (E_RNA)
where:
Base-Base interactions energy: -334.630
where: short stacking energy: -143.413
Base-Backbone interact. energy: -0.025
local terms energy: -159.498014
where:
bonds (distance) C4'-P energy: -29.881
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -44.946
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: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -505.852775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.852775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.852775 (E_RNA)
where:
Base-Base interactions energy: -337.999
where: short stacking energy: -132.435
Base-Backbone interact. energy: -0.600
local terms energy: -167.253849
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -42.331
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: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -447.887424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.887424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.887424 (E_RNA)
where:
Base-Base interactions energy: -308.362
where: short stacking energy: -128.794
Base-Backbone interact. energy: -0.199
local terms energy: -139.326579
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -37.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -425.915527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.915527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.915527 (E_RNA)
where:
Base-Base interactions energy: -284.219
where: short stacking energy: -116.123
Base-Backbone interact. energy: -0.487
local terms energy: -141.210383
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -29.170
flat angles P-C4'-P energy: -20.615
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -430.233271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.233271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.233271 (E_RNA)
where:
Base-Base interactions energy: -298.601
where: short stacking energy: -113.629
Base-Backbone interact. energy: -0.273
local terms energy: -131.358975
where:
bonds (distance) C4'-P energy: -27.192
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -34.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -268.930946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.930946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.930946 (E_RNA)
where:
Base-Base interactions energy: -148.308
where: short stacking energy: -80.833
Base-Backbone interact. energy: -0.376
local terms energy: -120.247326
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -25.767
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -22.414
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: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -197.101739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.101739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.101739 (E_RNA)
where:
Base-Base interactions energy: -96.183
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.555
local terms energy: -100.364082
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -134.752312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.752312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.752312 (E_RNA)
where:
Base-Base interactions energy: -51.670
where: short stacking energy: -47.936
Base-Backbone interact. energy: 0.757
local terms energy: -83.839031
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -130.752152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.752152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.752152 (E_RNA)
where:
Base-Base interactions energy: -48.622
where: short stacking energy: -43.087
Base-Backbone interact. energy: -0.085
local terms energy: -82.045037
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: 4.919
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: 202
Temperature: 0.900000
Total energy: -493.132905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.132905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.132905 (E_RNA)
where:
Base-Base interactions energy: -328.578
where: short stacking energy: -147.512
Base-Backbone interact. energy: -0.079
local terms energy: -164.476010
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -41.396
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: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -523.321383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.321383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.321383 (E_RNA)
where:
Base-Base interactions energy: -365.835
where: short stacking energy: -150.481
Base-Backbone interact. energy: -0.359
local terms energy: -157.127550
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -36.804
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -45.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -517.373664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.373664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.373664 (E_RNA)
where:
Base-Base interactions energy: -349.387
where: short stacking energy: -140.441
Base-Backbone interact. energy: -0.167
local terms energy: -167.820225
where:
bonds (distance) C4'-P energy: -35.283
bonds (distance) P-C4' energy: -29.751
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -466.071914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.071914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.071914 (E_RNA)
where:
Base-Base interactions energy: -313.864
where: short stacking energy: -131.441
Base-Backbone interact. energy: 0.646
local terms energy: -152.853887
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -40.337
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: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -423.827598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.827598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.827598 (E_RNA)
where:
Base-Base interactions energy: -282.205
where: short stacking energy: -121.998
Base-Backbone interact. energy: -0.903
local terms energy: -140.720145
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -28.142
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: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -421.223150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.223150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.223150 (E_RNA)
where:
Base-Base interactions energy: -274.824
where: short stacking energy: -117.164
Base-Backbone interact. energy: 0.440
local terms energy: -146.838461
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -39.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -245.927588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.927588 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.361
local terms energy: -106.351503
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -186.139071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.139071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.139071 (E_RNA)
where:
Base-Base interactions energy: -85.096
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.502
local terms energy: -100.540135
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -13.882
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: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -137.619286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.619286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.619286 (E_RNA)
where:
Base-Base interactions energy: -47.050
where: short stacking energy: -38.612
Base-Backbone interact. energy: 1.039
local terms energy: -91.608593
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -10.110
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: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -151.849487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.849487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.849487 (E_RNA)
where:
Base-Base interactions energy: -79.135
where: short stacking energy: -39.307
Base-Backbone interact. energy: -0.997
local terms energy: -71.717055
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -501.773100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.773100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.773100 (E_RNA)
where:
Base-Base interactions energy: -346.403
where: short stacking energy: -147.110
Base-Backbone interact. energy: 0.159
local terms energy: -155.529551
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -42.678
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -519.826393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.826393 (E_RNA)
where:
Base-Base interactions energy: -366.551
where: short stacking energy: -151.905
Base-Backbone interact. energy: -0.902
local terms energy: -152.374067
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -46.161
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: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -517.409171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.409171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.409171 (E_RNA)
where:
Base-Base interactions energy: -356.969
where: short stacking energy: -157.035
Base-Backbone interact. energy: -1.447
local terms energy: -158.993800
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -50.559
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: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -443.248539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.248539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.248539 (E_RNA)
where:
Base-Base interactions energy: -294.899
where: short stacking energy: -114.761
Base-Backbone interact. energy: 0.539
local terms energy: -148.888784
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -446.060653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.060653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.060653 (E_RNA)
where:
Base-Base interactions energy: -305.095
where: short stacking energy: -135.798
Base-Backbone interact. energy: -0.076
local terms energy: -140.890120
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -40.509
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: 203
Temperature: 1.150000
Total energy: -453.170054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.170054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.170054 (E_RNA)
where:
Base-Base interactions energy: -320.952
where: short stacking energy: -140.465
Base-Backbone interact. energy: 3.808
local terms energy: -136.026443
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -21.115
tors. eta vs tors. theta energy: -40.126
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -253.214127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.214127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.214127 (E_RNA)
where:
Base-Base interactions energy: -136.979
where: short stacking energy: -79.983
Base-Backbone interact. energy: -0.625
local terms energy: -115.610070
where:
bonds (distance) C4'-P energy: -33.375
bonds (distance) P-C4' energy: -29.537
flat angles C4'-P-C4' energy: -24.129
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -142.736360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.736360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.736360 (E_RNA)
where:
Base-Base interactions energy: -48.700
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.461
local terms energy: -93.575696
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -148.288079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.288079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.288079 (E_RNA)
where:
Base-Base interactions energy: -50.736
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.126
local terms energy: -97.425890
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -159.308263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.308263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.308263 (E_RNA)
where:
Base-Base interactions energy: -62.888
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.257
local terms energy: -96.162746
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -525.055351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.055351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.055351 (E_RNA)
where:
Base-Base interactions energy: -361.412
where: short stacking energy: -158.730
Base-Backbone interact. energy: -0.045
local terms energy: -163.598809
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -47.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -491.216772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.216772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.216772 (E_RNA)
where:
Base-Base interactions energy: -344.669
where: short stacking energy: -146.777
Base-Backbone interact. energy: -1.057
local terms energy: -145.491508
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -40.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -519.362120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.362120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.362120 (E_RNA)
where:
Base-Base interactions energy: -350.009
where: short stacking energy: -142.609
Base-Backbone interact. energy: -1.027
local terms energy: -168.326064
where:
bonds (distance) C4'-P energy: -33.695
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -44.280
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: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -443.186215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.186215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.186215 (E_RNA)
where:
Base-Base interactions energy: -293.779
where: short stacking energy: -130.102
Base-Backbone interact. energy: -0.711
local terms energy: -148.695801
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -17.012
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: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -473.875738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.875738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.875738 (E_RNA)
where:
Base-Base interactions energy: -323.327
where: short stacking energy: -133.078
Base-Backbone interact. energy: -1.516
local terms energy: -149.032811
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -27.594
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -41.363
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: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -432.565263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.565263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.565263 (E_RNA)
where:
Base-Base interactions energy: -286.721
where: short stacking energy: -141.023
Base-Backbone interact. energy: -0.732
local terms energy: -145.112494
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -254.127178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.127178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.127178 (E_RNA)
where:
Base-Base interactions energy: -130.893
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.744
local terms energy: -122.490209
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -17.032
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: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -180.508224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.508224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.508224 (E_RNA)
where:
Base-Base interactions energy: -72.824
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.491
local terms energy: -107.193536
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -26.808
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -142.090214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.090214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.090214 (E_RNA)
where:
Base-Base interactions energy: -54.334
where: short stacking energy: -49.824
Base-Backbone interact. energy: -1.485
local terms energy: -86.271824
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -12.655
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -146.641718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641718 (E_RNA)
where:
Base-Base interactions energy: -44.970
where: short stacking energy: -32.851
Base-Backbone interact. energy: 3.335
local terms energy: -105.006454
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -521.863696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.863696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.863696 (E_RNA)
where:
Base-Base interactions energy: -358.505
where: short stacking energy: -149.500
Base-Backbone interact. energy: -1.507
local terms energy: -161.851857
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -526.070900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.070900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.070900 (E_RNA)
where:
Base-Base interactions energy: -355.095
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.075
local terms energy: -170.901064
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -48.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -473.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.190317 (E_RNA)
where:
Base-Base interactions energy: -320.309
where: short stacking energy: -142.571
Base-Backbone interact. energy: -0.236
local terms energy: -152.644833
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -42.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -483.576922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.576922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.576922 (E_RNA)
where:
Base-Base interactions energy: -327.661
where: short stacking energy: -139.346
Base-Backbone interact. energy: -0.597
local terms energy: -155.319085
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -45.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -432.364739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.364739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.364739 (E_RNA)
where:
Base-Base interactions energy: -285.598
where: short stacking energy: -129.249
Base-Backbone interact. energy: -0.734
local terms energy: -146.032266
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -27.815
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -38.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -427.945933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.945933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.945933 (E_RNA)
where:
Base-Base interactions energy: -288.611
where: short stacking energy: -122.909
Base-Backbone interact. energy: -0.514
local terms energy: -138.820958
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -35.698
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: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -254.544348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.544348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.544348 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -77.121
Base-Backbone interact. energy: 0.452
local terms energy: -123.285387
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -162.190868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.190868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.190868 (E_RNA)
where:
Base-Base interactions energy: -73.778
where: short stacking energy: -52.251
Base-Backbone interact. energy: -0.332
local terms energy: -88.080929
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -140.238760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.238760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.238760 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -41.774
Base-Backbone interact. energy: 0.541
local terms energy: -97.887237
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -132.235454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.235454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.235454 (E_RNA)
where:
Base-Base interactions energy: -50.281
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.693
local terms energy: -81.261587
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: 6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -519.960682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.960682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.960682 (E_RNA)
where:
Base-Base interactions energy: -347.464
where: short stacking energy: -149.169
Base-Backbone interact. energy: -0.941
local terms energy: -171.555141
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -49.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -515.171394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.171394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.171394 (E_RNA)
where:
Base-Base interactions energy: -351.467
where: short stacking energy: -161.742
Base-Backbone interact. energy: -0.792
local terms energy: -162.912237
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -50.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -505.365236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.365236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.365236 (E_RNA)
where:
Base-Base interactions energy: -340.048
where: short stacking energy: -145.170
Base-Backbone interact. energy: 0.611
local terms energy: -165.928429
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -44.437
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: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -466.039931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.039931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.039931 (E_RNA)
where:
Base-Base interactions energy: -309.388
where: short stacking energy: -137.572
Base-Backbone interact. energy: 1.167
local terms energy: -157.819070
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -40.553
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: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -434.998863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.998863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.998863 (E_RNA)
where:
Base-Base interactions energy: -283.077
where: short stacking energy: -124.092
Base-Backbone interact. energy: -0.004
local terms energy: -151.917515
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -35.206
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -41.655
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: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -435.029347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.029347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.029347 (E_RNA)
where:
Base-Base interactions energy: -292.001
where: short stacking energy: -119.633
Base-Backbone interact. energy: -0.459
local terms energy: -142.569172
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -36.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -252.190174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.190174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.190174 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.373
local terms energy: -117.860131
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -165.687263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.687263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.687263 (E_RNA)
where:
Base-Base interactions energy: -59.683
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.799
local terms energy: -105.205655
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -141.060779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.060779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.060779 (E_RNA)
where:
Base-Base interactions energy: -38.387
where: short stacking energy: -28.544
Base-Backbone interact. energy: -0.299
local terms energy: -102.375240
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: 2.270
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: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -156.624003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.624003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.624003 (E_RNA)
where:
Base-Base interactions energy: -65.468
where: short stacking energy: -41.323
Base-Backbone interact. energy: 0.124
local terms energy: -91.279814
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -507.430555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.430555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.430555 (E_RNA)
where:
Base-Base interactions energy: -343.077
where: short stacking energy: -141.258
Base-Backbone interact. energy: -0.516
local terms energy: -163.837674
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -48.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -507.836347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.836347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.836347 (E_RNA)
where:
Base-Base interactions energy: -356.422
where: short stacking energy: -144.103
Base-Backbone interact. energy: -0.018
local terms energy: -151.395951
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -39.429
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: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -510.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.817545 (E_RNA)
where:
Base-Base interactions energy: -351.619
where: short stacking energy: -148.589
Base-Backbone interact. energy: -0.132
local terms energy: -159.066815
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -48.458
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: 207
Temperature: 1.050000
Total energy: -447.564288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.564288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.564288 (E_RNA)
where:
Base-Base interactions energy: -307.586
where: short stacking energy: -133.996
Base-Backbone interact. energy: -0.210
local terms energy: -139.768647
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -20.337
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: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -438.284025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.284025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.284025 (E_RNA)
where:
Base-Base interactions energy: -303.023
where: short stacking energy: -123.493
Base-Backbone interact. energy: 3.168
local terms energy: -138.429148
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -436.514908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.514908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.514908 (E_RNA)
where:
Base-Base interactions energy: -295.367
where: short stacking energy: -131.373
Base-Backbone interact. energy: -0.114
local terms energy: -141.034422
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -40.639
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: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -269.093008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.093008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.093008 (E_RNA)
where:
Base-Base interactions energy: -158.677
where: short stacking energy: -76.225
Base-Backbone interact. energy: -0.584
local terms energy: -109.831961
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -164.223033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.223033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.223033 (E_RNA)
where:
Base-Base interactions energy: -69.416
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.746
local terms energy: -94.061169
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -24.069
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -146.298155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.298155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.298155 (E_RNA)
where:
Base-Base interactions energy: -50.320
where: short stacking energy: -44.015
Base-Backbone interact. energy: -0.096
local terms energy: -95.882609
where:
bonds (distance) C4'-P energy: -32.597
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: 6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -138.484310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.484310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.484310 (E_RNA)
where:
Base-Base interactions energy: -53.727
where: short stacking energy: -46.974
Base-Backbone interact. energy: 0.208
local terms energy: -84.965248
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -521.855720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.855720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.855720 (E_RNA)
where:
Base-Base interactions energy: -353.853
where: short stacking energy: -153.041
Base-Backbone interact. energy: -0.064
local terms energy: -167.938764
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -49.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -511.138640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.138640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.138640 (E_RNA)
where:
Base-Base interactions energy: -356.146
where: short stacking energy: -147.774
Base-Backbone interact. energy: 0.334
local terms energy: -155.326770
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -47.198
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: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -517.363146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.363146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.363146 (E_RNA)
where:
Base-Base interactions energy: -348.754
where: short stacking energy: -144.471
Base-Backbone interact. energy: -0.704
local terms energy: -167.905795
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -43.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -464.801517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.801517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.801517 (E_RNA)
where:
Base-Base interactions energy: -308.887
where: short stacking energy: -137.632
Base-Backbone interact. energy: -0.112
local terms energy: -155.802489
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -43.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -433.638649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.638649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.638649 (E_RNA)
where:
Base-Base interactions energy: -286.120
where: short stacking energy: -124.911
Base-Backbone interact. energy: -0.255
local terms energy: -147.264387
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -36.940
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -424.194576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.194576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.194576 (E_RNA)
where:
Base-Base interactions energy: -275.523
where: short stacking energy: -120.200
Base-Backbone interact. energy: -0.798
local terms energy: -147.873294
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -32.708
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: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -244.080850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.080850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.080850 (E_RNA)
where:
Base-Base interactions energy: -136.498
where: short stacking energy: -63.925
Base-Backbone interact. energy: 0.155
local terms energy: -107.737766
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -21.907
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: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -159.374391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.374391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.374391 (E_RNA)
where:
Base-Base interactions energy: -57.541
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.360
local terms energy: -101.473400
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -140.334307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.334307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.334307 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -45.105
Base-Backbone interact. energy: -0.512
local terms energy: -96.817384
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -142.046224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.046224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.046224 (E_RNA)
where:
Base-Base interactions energy: -53.126
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.359
local terms energy: -88.561337
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -519.790150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.790150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.790150 (E_RNA)
where:
Base-Base interactions energy: -350.041
where: short stacking energy: -157.653
Base-Backbone interact. energy: -0.033
local terms energy: -169.716013
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -33.025
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -42.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -523.748182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.748182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.748182 (E_RNA)
where:
Base-Base interactions energy: -353.261
where: short stacking energy: -136.634
Base-Backbone interact. energy: 0.047
local terms energy: -170.534416
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -23.332
tors. eta vs tors. theta energy: -45.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -506.284074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.284074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.284074 (E_RNA)
where:
Base-Base interactions energy: -343.475
where: short stacking energy: -143.576
Base-Backbone interact. energy: -0.211
local terms energy: -162.597897
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -43.584
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: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -470.690559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.690559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.690559 (E_RNA)
where:
Base-Base interactions energy: -322.431
where: short stacking energy: -146.028
Base-Backbone interact. energy: 0.785
local terms energy: -149.043769
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -27.533
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -429.660614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.660614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.660614 (E_RNA)
where:
Base-Base interactions energy: -292.199
where: short stacking energy: -138.650
Base-Backbone interact. energy: -0.206
local terms energy: -137.255790
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -412.250737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.250737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.250737 (E_RNA)
where:
Base-Base interactions energy: -269.458
where: short stacking energy: -113.740
Base-Backbone interact. energy: -0.136
local terms energy: -142.656919
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -33.231
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: 209
Temperature: 1.200000
Total energy: -262.281701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.281701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.281701 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -75.374
Base-Backbone interact. energy: 0.113
local terms energy: -115.932326
where:
bonds (distance) C4'-P energy: -28.801
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -163.003718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.003718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.003718 (E_RNA)
where:
Base-Base interactions energy: -75.927
where: short stacking energy: -34.963
Base-Backbone interact. energy: -0.391
local terms energy: -86.686152
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -0.826
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: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -148.255298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.255298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.255298 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -41.441
Base-Backbone interact. energy: 0.729
local terms energy: -106.252670
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -141.614524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.614524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.614524 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.249
local terms energy: -96.430261
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -30.880
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -5.179
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: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -520.567608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.567608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.567608 (E_RNA)
where:
Base-Base interactions energy: -346.223
where: short stacking energy: -147.174
Base-Backbone interact. energy: -0.408
local terms energy: -173.936222
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -37.575
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -44.946
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: 210
Temperature: 0.950000
Total energy: -513.025115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.025115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.025115 (E_RNA)
where:
Base-Base interactions energy: -358.048
where: short stacking energy: -148.611
Base-Backbone interact. energy: -0.033
local terms energy: -154.944024
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -512.901636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.901636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.901636 (E_RNA)
where:
Base-Base interactions energy: -351.490
where: short stacking energy: -138.241
Base-Backbone interact. energy: -0.365
local terms energy: -161.046405
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -33.316
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -44.814
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: 210
Temperature: 1.050000
Total energy: -464.380895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.380895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.380895 (E_RNA)
where:
Base-Base interactions energy: -327.846
where: short stacking energy: -127.422
Base-Backbone interact. energy: -0.324
local terms energy: -136.211195
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -427.521364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.521364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.521364 (E_RNA)
where:
Base-Base interactions energy: -287.306
where: short stacking energy: -123.380
Base-Backbone interact. energy: -0.389
local terms energy: -139.827017
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -26.024
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: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -410.338264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.338264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.338264 (E_RNA)
where:
Base-Base interactions energy: -283.166
where: short stacking energy: -119.788
Base-Backbone interact. energy: 2.560
local terms energy: -129.732384
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -27.215
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: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -260.900934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.900934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.900934 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -84.648
Base-Backbone interact. energy: -0.136
local terms energy: -122.752302
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -23.094
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: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -190.711558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.711558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.711558 (E_RNA)
where:
Base-Base interactions energy: -88.418
where: short stacking energy: -50.465
Base-Backbone interact. energy: 0.148
local terms energy: -102.441550
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -26.270
flat angles P-C4'-P energy: -14.913
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: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -166.868858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.868858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.868858 (E_RNA)
where:
Base-Base interactions energy: -63.625
where: short stacking energy: -52.549
Base-Backbone interact. energy: 1.235
local terms energy: -104.478969
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -18.045
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: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -142.932585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.932585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.932585 (E_RNA)
where:
Base-Base interactions energy: -62.339
where: short stacking energy: -41.216
Base-Backbone interact. energy: -1.198
local terms energy: -79.394844
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -526.536264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.536264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.536264 (E_RNA)
where:
Base-Base interactions energy: -355.241
where: short stacking energy: -152.795
Base-Backbone interact. energy: -0.044
local terms energy: -171.250986
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -47.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -510.176302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.176302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.176302 (E_RNA)
where:
Base-Base interactions energy: -352.889
where: short stacking energy: -150.118
Base-Backbone interact. energy: -0.166
local terms energy: -157.121519
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -46.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -507.925144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.925144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.925144 (E_RNA)
where:
Base-Base interactions energy: -350.081
where: short stacking energy: -145.612
Base-Backbone interact. energy: -1.133
local terms energy: -156.711232
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -28.238
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -41.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -472.045560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.045560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.045560 (E_RNA)
where:
Base-Base interactions energy: -321.805
where: short stacking energy: -132.663
Base-Backbone interact. energy: -0.459
local terms energy: -149.780791
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -40.115
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: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -421.525747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.525747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.525747 (E_RNA)
where:
Base-Base interactions energy: -283.736
where: short stacking energy: -126.939
Base-Backbone interact. energy: -0.887
local terms energy: -136.903176
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -37.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -390.544431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.544431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.544431 (E_RNA)
where:
Base-Base interactions energy: -254.152
where: short stacking energy: -111.300
Base-Backbone interact. energy: -0.471
local terms energy: -135.920801
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -27.383
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -36.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -253.510576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.510576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.510576 (E_RNA)
where:
Base-Base interactions energy: -154.087
where: short stacking energy: -82.992
Base-Backbone interact. energy: -0.344
local terms energy: -99.080190
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -164.856627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.856627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.856627 (E_RNA)
where:
Base-Base interactions energy: -57.680
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.100
local terms energy: -107.076705
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -0.569
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: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -201.961223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.961223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.961223 (E_RNA)
where:
Base-Base interactions energy: -106.752
where: short stacking energy: -49.781
Base-Backbone interact. energy: -0.128
local terms energy: -95.081256
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -139.497738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.497738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.497738 (E_RNA)
where:
Base-Base interactions energy: -49.908
where: short stacking energy: -39.584
Base-Backbone interact. energy: 0.630
local terms energy: -90.219719
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -530.346639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.346639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.346639 (E_RNA)
where:
Base-Base interactions energy: -357.246
where: short stacking energy: -159.253
Base-Backbone interact. energy: 1.915
local terms energy: -175.015567
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -48.734
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: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -509.230612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.230612 (E_RNA)
where:
Base-Base interactions energy: -339.893
where: short stacking energy: -152.462
Base-Backbone interact. energy: 0.793
local terms energy: -170.130568
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -36.378
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -44.575
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: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -506.826675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.826675 (E_RNA)
where:
Base-Base interactions energy: -360.006
where: short stacking energy: -138.112
Base-Backbone interact. energy: -0.516
local terms energy: -146.304726
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -42.720
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: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -472.691115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.691115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.691115 (E_RNA)
where:
Base-Base interactions energy: -322.822
where: short stacking energy: -144.818
Base-Backbone interact. energy: 0.083
local terms energy: -149.952742
where:
bonds (distance) C4'-P energy: -28.864
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -45.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -431.397201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.397201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.397201 (E_RNA)
where:
Base-Base interactions energy: -292.139
where: short stacking energy: -118.091
Base-Backbone interact. energy: -2.192
local terms energy: -137.066648
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -32.742
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: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -403.382143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.382143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.382143 (E_RNA)
where:
Base-Base interactions energy: -262.872
where: short stacking energy: -117.563
Base-Backbone interact. energy: -0.341
local terms energy: -140.168794
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -21.526
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -265.113485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.113485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.113485 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.214
local terms energy: -126.541552
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -143.803836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.803836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.803836 (E_RNA)
where:
Base-Base interactions energy: -52.649
where: short stacking energy: -49.215
Base-Backbone interact. energy: -0.469
local terms energy: -90.685456
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -182.131881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.131881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.131881 (E_RNA)
where:
Base-Base interactions energy: -84.392
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.198
local terms energy: -97.541649
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: 5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -150.155828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.155828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.155828 (E_RNA)
where:
Base-Base interactions energy: -49.647
where: short stacking energy: -41.619
Base-Backbone interact. energy: -0.382
local terms energy: -100.126912
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -535.459285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.459285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.459285 (E_RNA)
where:
Base-Base interactions energy: -366.638
where: short stacking energy: -168.077
Base-Backbone interact. energy: -0.127
local terms energy: -168.694728
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -50.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -508.415350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.415350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.415350 (E_RNA)
where:
Base-Base interactions energy: -357.012
where: short stacking energy: -137.216
Base-Backbone interact. energy: -0.654
local terms energy: -150.748913
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -43.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -523.743440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.743440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.743440 (E_RNA)
where:
Base-Base interactions energy: -356.422
where: short stacking energy: -155.102
Base-Backbone interact. energy: 0.078
local terms energy: -167.399658
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -34.610
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -47.198
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: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -463.821774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.821774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.821774 (E_RNA)
where:
Base-Base interactions energy: -306.052
where: short stacking energy: -133.489
Base-Backbone interact. energy: -0.204
local terms energy: -157.565677
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -40.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -416.623100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.623100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.623100 (E_RNA)
where:
Base-Base interactions energy: -288.503
where: short stacking energy: -107.226
Base-Backbone interact. energy: -1.587
local terms energy: -126.533563
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -30.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -427.640091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.640091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.640091 (E_RNA)
where:
Base-Base interactions energy: -275.395
where: short stacking energy: -127.731
Base-Backbone interact. energy: -0.703
local terms energy: -151.542266
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -41.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -250.414623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.414623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.414623 (E_RNA)
where:
Base-Base interactions energy: -136.661
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.363
local terms energy: -113.390608
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -14.406
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -164.152617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.152617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.152617 (E_RNA)
where:
Base-Base interactions energy: -74.722
where: short stacking energy: -57.030
Base-Backbone interact. energy: 0.661
local terms energy: -90.092360
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -146.910571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.910571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.910571 (E_RNA)
where:
Base-Base interactions energy: -51.591
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.927
local terms energy: -94.392873
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: 6.102
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: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -131.493331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.493331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.493331 (E_RNA)
where:
Base-Base interactions energy: -56.073
where: short stacking energy: -40.034
Base-Backbone interact. energy: -1.143
local terms energy: -74.276503
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -7.441
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -531.791909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.791909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.791909 (E_RNA)
where:
Base-Base interactions energy: -362.545
where: short stacking energy: -143.983
Base-Backbone interact. energy: -1.030
local terms energy: -168.216544
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -42.543
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: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -531.280561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.280561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.280561 (E_RNA)
where:
Base-Base interactions energy: -366.493
where: short stacking energy: -160.954
Base-Backbone interact. energy: -0.356
local terms energy: -164.431860
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -35.258
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -45.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -466.133843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.133843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.133843 (E_RNA)
where:
Base-Base interactions energy: -315.556
where: short stacking energy: -128.907
Base-Backbone interact. energy: 0.411
local terms energy: -150.989219
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -36.733
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: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -492.626783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.626783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.626783 (E_RNA)
where:
Base-Base interactions energy: -336.310
where: short stacking energy: -145.663
Base-Backbone interact. energy: -0.280
local terms energy: -156.036782
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -41.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -425.769920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.769920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.769920 (E_RNA)
where:
Base-Base interactions energy: -285.975
where: short stacking energy: -126.939
Base-Backbone interact. energy: 0.584
local terms energy: -140.378735
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -43.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -419.547056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.547056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.547056 (E_RNA)
where:
Base-Base interactions energy: -285.713
where: short stacking energy: -114.854
Base-Backbone interact. energy: 0.521
local terms energy: -134.354267
where:
bonds (distance) C4'-P energy: -29.546
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -17.673
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: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -246.429365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.429365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.429365 (E_RNA)
where:
Base-Base interactions energy: -128.565
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.743
local terms energy: -117.121052
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -204.161527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.161527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.161527 (E_RNA)
where:
Base-Base interactions energy: -105.151
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.221
local terms energy: -98.788890
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -161.222066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.222066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.222066 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.504
local terms energy: -109.841379
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -31.547
flat angles C4'-P-C4' energy: -32.179
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -147.118462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.118462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.118462 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -39.616
Base-Backbone interact. energy: -1.135
local terms energy: -104.976727
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -531.571055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.571055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.571055 (E_RNA)
where:
Base-Base interactions energy: -361.881
where: short stacking energy: -141.991
Base-Backbone interact. energy: -0.186
local terms energy: -169.504058
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -34.805
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -43.890
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: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -527.694910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.694910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.694910 (E_RNA)
where:
Base-Base interactions energy: -361.355
where: short stacking energy: -161.502
Base-Backbone interact. energy: -0.482
local terms energy: -165.858019
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -50.323
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -487.863481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.863481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.863481 (E_RNA)
where:
Base-Base interactions energy: -321.935
where: short stacking energy: -145.957
Base-Backbone interact. energy: -0.679
local terms energy: -165.249592
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -42.702
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -489.596999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.596999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.596999 (E_RNA)
where:
Base-Base interactions energy: -335.355
where: short stacking energy: -137.714
Base-Backbone interact. energy: -0.108
local terms energy: -154.134725
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -43.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -424.858665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.858665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.858665 (E_RNA)
where:
Base-Base interactions energy: -272.648
where: short stacking energy: -126.530
Base-Backbone interact. energy: 0.010
local terms energy: -152.220606
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -39.582
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: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -418.196044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.196044 (E_RNA)
where:
Base-Base interactions energy: -272.336
where: short stacking energy: -113.472
Base-Backbone interact. energy: -0.216
local terms energy: -145.643361
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -34.155
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -32.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -241.299005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.299005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.299005 (E_RNA)
where:
Base-Base interactions energy: -137.947
where: short stacking energy: -63.651
Base-Backbone interact. energy: 0.444
local terms energy: -103.796530
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -148.405685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.405685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.405685 (E_RNA)
where:
Base-Base interactions energy: -60.526
where: short stacking energy: -46.676
Base-Backbone interact. energy: 3.616
local terms energy: -91.496205
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -27.878
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: 1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -173.511103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.511103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.511103 (E_RNA)
where:
Base-Base interactions energy: -81.176
where: short stacking energy: -48.143
Base-Backbone interact. energy: 1.271
local terms energy: -93.606130
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -149.390712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.390712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.390712 (E_RNA)
where:
Base-Base interactions energy: -51.922
where: short stacking energy: -45.038
Base-Backbone interact. energy: 2.384
local terms energy: -99.852409
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -34.069
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -533.434605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.434605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.434605 (E_RNA)
where:
Base-Base interactions energy: -363.156
where: short stacking energy: -157.981
Base-Backbone interact. energy: -0.332
local terms energy: -169.946544
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -34.941
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -46.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -524.405439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.405439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.405439 (E_RNA)
where:
Base-Base interactions energy: -362.031
where: short stacking energy: -155.765
Base-Backbone interact. energy: -1.249
local terms energy: -161.124981
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -43.143
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: 216
Temperature: 1.000000
Total energy: -475.055370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.055370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.055370 (E_RNA)
where:
Base-Base interactions energy: -325.991
where: short stacking energy: -139.692
Base-Backbone interact. energy: 1.271
local terms energy: -150.335601
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -41.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -480.735414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.735414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.735414 (E_RNA)
where:
Base-Base interactions energy: -323.209
where: short stacking energy: -143.873
Base-Backbone interact. energy: -0.413
local terms energy: -157.113545
where:
bonds (distance) C4'-P energy: -32.361
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -44.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -420.526120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.526120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.526120 (E_RNA)
where:
Base-Base interactions energy: -280.341
where: short stacking energy: -119.145
Base-Backbone interact. energy: -0.137
local terms energy: -140.047787
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -36.367
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -397.579890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.579890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.579890 (E_RNA)
where:
Base-Base interactions energy: -260.992
where: short stacking energy: -100.903
Base-Backbone interact. energy: -0.515
local terms energy: -136.073122
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -32.200
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -250.599709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.599709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.599709 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -67.015
Base-Backbone interact. energy: -1.255
local terms energy: -117.070343
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -158.427634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.427634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.427634 (E_RNA)
where:
Base-Base interactions energy: -56.669
where: short stacking energy: -48.850
Base-Backbone interact. energy: 1.277
local terms energy: -103.035129
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: 3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -168.215910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.215910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.215910 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -58.001
Base-Backbone interact. energy: 0.007
local terms energy: -87.491784
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: 0.107
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: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -161.942977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.942977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.942977 (E_RNA)
where:
Base-Base interactions energy: -79.846
where: short stacking energy: -39.609
Base-Backbone interact. energy: -1.463
local terms energy: -80.633683
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -535.829165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.829165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.829165 (E_RNA)
where:
Base-Base interactions energy: -366.015
where: short stacking energy: -153.825
Base-Backbone interact. energy: -0.117
local terms energy: -169.697231
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -36.510
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -49.547
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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -512.257289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.257289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.257289 (E_RNA)
where:
Base-Base interactions energy: -353.295
where: short stacking energy: -148.572
Base-Backbone interact. energy: -0.151
local terms energy: -158.811157
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -30.037
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -476.361880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.361880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.361880 (E_RNA)
where:
Base-Base interactions energy: -315.524
where: short stacking energy: -142.273
Base-Backbone interact. energy: -1.435
local terms energy: -159.403006
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -28.499
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -41.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -476.014845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.014845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.014845 (E_RNA)
where:
Base-Base interactions energy: -322.001
where: short stacking energy: -132.766
Base-Backbone interact. energy: -0.080
local terms energy: -153.934554
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -36.529
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -40.648
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: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -438.090748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.090748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.090748 (E_RNA)
where:
Base-Base interactions energy: -296.653
where: short stacking energy: -127.722
Base-Backbone interact. energy: -0.012
local terms energy: -141.426528
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -31.876
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -44.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -259.576912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.576912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.576912 (E_RNA)
where:
Base-Base interactions energy: -145.950
where: short stacking energy: -81.598
Base-Backbone interact. energy: -1.008
local terms energy: -112.619072
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -363.184507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.184507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.184507 (E_RNA)
where:
Base-Base interactions energy: -246.089
where: short stacking energy: -102.895
Base-Backbone interact. energy: -0.478
local terms energy: -116.616905
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -152.492664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.492664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.492664 (E_RNA)
where:
Base-Base interactions energy: -58.763
where: short stacking energy: -36.815
Base-Backbone interact. energy: -1.396
local terms energy: -92.333510
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: 3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -142.304555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.304555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.304555 (E_RNA)
where:
Base-Base interactions energy: -42.005
where: short stacking energy: -35.260
Base-Backbone interact. energy: -0.568
local terms energy: -99.732430
where:
bonds (distance) C4'-P energy: -30.706
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -140.564303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.564303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.564303 (E_RNA)
where:
Base-Base interactions energy: -58.127
where: short stacking energy: -34.082
Base-Backbone interact. energy: 0.942
local terms energy: -83.378970
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: 5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -535.381205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.381205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.381205 (E_RNA)
where:
Base-Base interactions energy: -365.603
where: short stacking energy: -156.084
Base-Backbone interact. energy: -0.322
local terms energy: -169.455545
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -46.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -524.460917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.460917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.460917 (E_RNA)
where:
Base-Base interactions energy: -350.701
where: short stacking energy: -146.046
Base-Backbone interact. energy: -0.358
local terms energy: -173.402236
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -486.231666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.231666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.231666 (E_RNA)
where:
Base-Base interactions energy: -330.352
where: short stacking energy: -132.738
Base-Backbone interact. energy: -0.540
local terms energy: -155.340192
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -41.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -485.742687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.742687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.742687 (E_RNA)
where:
Base-Base interactions energy: -333.460
where: short stacking energy: -152.340
Base-Backbone interact. energy: -0.169
local terms energy: -152.113644
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -450.585521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.585521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.585521 (E_RNA)
where:
Base-Base interactions energy: -301.327
where: short stacking energy: -133.681
Base-Backbone interact. energy: -0.050
local terms energy: -149.208719
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -41.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -271.088525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.088525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.088525 (E_RNA)
where:
Base-Base interactions energy: -156.275
where: short stacking energy: -83.861
Base-Backbone interact. energy: 0.260
local terms energy: -115.073601
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -336.920097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.920097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.920097 (E_RNA)
where:
Base-Base interactions energy: -225.520
where: short stacking energy: -86.920
Base-Backbone interact. energy: -0.673
local terms energy: -110.726847
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -24.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -155.396296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.396296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.396296 (E_RNA)
where:
Base-Base interactions energy: -67.861
where: short stacking energy: -55.294
Base-Backbone interact. energy: 3.311
local terms energy: -90.846487
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -149.808730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.808730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.808730 (E_RNA)
where:
Base-Base interactions energy: -56.134
where: short stacking energy: -45.748
Base-Backbone interact. energy: -1.534
local terms energy: -92.141158
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -140.169655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.169655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.169655 (E_RNA)
where:
Base-Base interactions energy: -56.329
where: short stacking energy: -52.631
Base-Backbone interact. energy: 0.221
local terms energy: -84.061412
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -526.549669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.549669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.549669 (E_RNA)
where:
Base-Base interactions energy: -366.885
where: short stacking energy: -142.443
Base-Backbone interact. energy: -0.057
local terms energy: -159.607770
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -43.263
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: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -531.067115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.067115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.067115 (E_RNA)
where:
Base-Base interactions energy: -362.453
where: short stacking energy: -157.964
Base-Backbone interact. energy: 0.898
local terms energy: -169.512036
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -49.141
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: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -489.376871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.376871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.376871 (E_RNA)
where:
Base-Base interactions energy: -332.315
where: short stacking energy: -138.043
Base-Backbone interact. energy: -0.716
local terms energy: -156.346494
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -42.264
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: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -434.235141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.235141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.235141 (E_RNA)
where:
Base-Base interactions energy: -282.689
where: short stacking energy: -121.453
Base-Backbone interact. energy: -0.043
local terms energy: -151.502766
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: -38.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -438.800676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.800676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.800676 (E_RNA)
where:
Base-Base interactions energy: -295.648
where: short stacking energy: -114.389
Base-Backbone interact. energy: -0.887
local terms energy: -142.266048
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -39.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -367.803907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.803907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.803907 (E_RNA)
where:
Base-Base interactions energy: -243.523
where: short stacking energy: -92.719
Base-Backbone interact. energy: 2.782
local terms energy: -127.063238
where:
bonds (distance) C4'-P energy: -25.003
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -24.583
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: 219
Temperature: 1.200000
Total energy: -288.592144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.592144 (E_RNA)
where:
Base-Base interactions energy: -172.384
where: short stacking energy: -72.058
Base-Backbone interact. energy: -0.328
local terms energy: -115.880130
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -195.545624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.545624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.545624 (E_RNA)
where:
Base-Base interactions energy: -86.451
where: short stacking energy: -41.412
Base-Backbone interact. energy: -0.767
local terms energy: -108.327481
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -149.494000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.494000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.494000 (E_RNA)
where:
Base-Base interactions energy: -51.910
where: short stacking energy: -50.061
Base-Backbone interact. energy: -0.112
local terms energy: -97.472425
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -143.631906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.631906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.631906 (E_RNA)
where:
Base-Base interactions energy: -56.151
where: short stacking energy: -32.356
Base-Backbone interact. energy: -1.132
local terms energy: -86.348273
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: 6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -523.912977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.912977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.912977 (E_RNA)
where:
Base-Base interactions energy: -349.975
where: short stacking energy: -148.817
Base-Backbone interact. energy: -0.694
local terms energy: -173.243965
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -39.747
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -43.705
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -530.227624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.227624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.227624 (E_RNA)
where:
Base-Base interactions energy: -355.542
where: short stacking energy: -148.948
Base-Backbone interact. energy: -0.139
local terms energy: -174.546998
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -48.523
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -506.724091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.724091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.724091 (E_RNA)
where:
Base-Base interactions energy: -339.343
where: short stacking energy: -135.405
Base-Backbone interact. energy: -0.260
local terms energy: -167.121971
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -42.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -434.788073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.788073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.788073 (E_RNA)
where:
Base-Base interactions energy: -280.143
where: short stacking energy: -126.526
Base-Backbone interact. energy: -0.996
local terms energy: -153.648329
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -40.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -462.198717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.198717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.198717 (E_RNA)
where:
Base-Base interactions energy: -304.529
where: short stacking energy: -121.214
Base-Backbone interact. energy: -0.727
local terms energy: -156.942759
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -45.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -412.206842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.206842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.206842 (E_RNA)
where:
Base-Base interactions energy: -269.837
where: short stacking energy: -115.085
Base-Backbone interact. energy: -0.433
local terms energy: -141.937370
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -19.953
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -278.532841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.532841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.532841 (E_RNA)
where:
Base-Base interactions energy: -166.435
where: short stacking energy: -80.861
Base-Backbone interact. energy: 1.987
local terms energy: -114.084844
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -177.000773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.000773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.000773 (E_RNA)
where:
Base-Base interactions energy: -90.688
where: short stacking energy: -52.175
Base-Backbone interact. energy: 0.549
local terms energy: -86.862181
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -154.017196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017196 (E_RNA)
where:
Base-Base interactions energy: -61.362
where: short stacking energy: -53.688
Base-Backbone interact. energy: 0.023
local terms energy: -92.678344
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -140.368821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.368821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.368821 (E_RNA)
where:
Base-Base interactions energy: -41.509
where: short stacking energy: -43.100
Base-Backbone interact. energy: 0.242
local terms energy: -99.102442
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -29.172
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -530.877989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.877989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.877989 (E_RNA)
where:
Base-Base interactions energy: -362.119
where: short stacking energy: -146.589
Base-Backbone interact. energy: -0.040
local terms energy: -168.719392
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -47.116
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -517.160128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.160128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.160128 (E_RNA)
where:
Base-Base interactions energy: -357.579
where: short stacking energy: -152.083
Base-Backbone interact. energy: -1.166
local terms energy: -158.415053
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -45.926
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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -511.036344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.036344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.036344 (E_RNA)
where:
Base-Base interactions energy: -346.629
where: short stacking energy: -152.135
Base-Backbone interact. energy: 1.788
local terms energy: -166.195109
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -47.653
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -458.436784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.436784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.436784 (E_RNA)
where:
Base-Base interactions energy: -309.368
where: short stacking energy: -128.820
Base-Backbone interact. energy: -0.159
local terms energy: -148.909817
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -34.222
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: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -438.352997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.352997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.352997 (E_RNA)
where:
Base-Base interactions energy: -292.626
where: short stacking energy: -124.056
Base-Backbone interact. energy: -0.348
local terms energy: -145.378807
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -32.310
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: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -421.341044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.341044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.341044 (E_RNA)
where:
Base-Base interactions energy: -284.279
where: short stacking energy: -110.703
Base-Backbone interact. energy: 0.109
local terms energy: -137.170309
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -35.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -260.123769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.123769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.123769 (E_RNA)
where:
Base-Base interactions energy: -150.692
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.291
local terms energy: -109.140195
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -179.877333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.877333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.877333 (E_RNA)
where:
Base-Base interactions energy: -86.700
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.337
local terms energy: -92.841182
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -12.905
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -160.361228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.361228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.361228 (E_RNA)
where:
Base-Base interactions energy: -58.558
where: short stacking energy: -58.221
Base-Backbone interact. energy: 0.175
local terms energy: -101.978215
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -5.681
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: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -126.106808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106808 (E_RNA)
where:
Base-Base interactions energy: -46.269
where: short stacking energy: -30.083
Base-Backbone interact. energy: -1.532
local terms energy: -78.305298
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: 10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -533.821063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.821063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.821063 (E_RNA)
where:
Base-Base interactions energy: -373.367
where: short stacking energy: -152.258
Base-Backbone interact. energy: -0.119
local terms energy: -160.334297
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -45.338
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -498.516065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.516065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.516065 (E_RNA)
where:
Base-Base interactions energy: -342.413
where: short stacking energy: -133.245
Base-Backbone interact. energy: -0.383
local terms energy: -155.720395
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -41.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -511.279910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.279910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.279910 (E_RNA)
where:
Base-Base interactions energy: -354.945
where: short stacking energy: -141.387
Base-Backbone interact. energy: -0.590
local terms energy: -155.744876
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -45.411
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: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -455.681807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.681807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.681807 (E_RNA)
where:
Base-Base interactions energy: -309.167
where: short stacking energy: -130.902
Base-Backbone interact. energy: -1.168
local terms energy: -145.346857
where:
bonds (distance) C4'-P energy: -26.382
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -38.243
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: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -428.335878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.335878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.335878 (E_RNA)
where:
Base-Base interactions energy: -275.263
where: short stacking energy: -116.150
Base-Backbone interact. energy: -0.217
local terms energy: -152.855735
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -40.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -400.391647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.391647 (E_RNA)
where:
Base-Base interactions energy: -263.764
where: short stacking energy: -123.836
Base-Backbone interact. energy: -0.623
local terms energy: -136.005155
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -36.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -188.953894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.953894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.953894 (E_RNA)
where:
Base-Base interactions energy: -72.229
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.657
local terms energy: -116.067567
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -260.865682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.865682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.865682 (E_RNA)
where:
Base-Base interactions energy: -145.964
where: short stacking energy: -84.268
Base-Backbone interact. energy: -0.176
local terms energy: -114.726202
where:
bonds (distance) C4'-P energy: -30.141
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -150.350080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.350080 (E_RNA)
where:
Base-Base interactions energy: -52.206
where: short stacking energy: -38.318
Base-Backbone interact. energy: -1.119
local terms energy: -97.025840
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -132.134115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.134115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.134115 (E_RNA)
where:
Base-Base interactions energy: -42.224
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.362
local terms energy: -89.548529
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: 3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -533.630891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.630891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.630891 (E_RNA)
where:
Base-Base interactions energy: -368.701
where: short stacking energy: -146.539
Base-Backbone interact. energy: -0.115
local terms energy: -164.814445
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -506.261371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.261371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.261371 (E_RNA)
where:
Base-Base interactions energy: -348.879
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.664
local terms energy: -156.717582
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -45.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -508.272302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.272302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.272302 (E_RNA)
where:
Base-Base interactions energy: -348.927
where: short stacking energy: -141.746
Base-Backbone interact. energy: -0.322
local terms energy: -159.023326
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -462.784561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.784561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.784561 (E_RNA)
where:
Base-Base interactions energy: -312.489
where: short stacking energy: -135.477
Base-Backbone interact. energy: -0.003
local terms energy: -150.293053
where:
bonds (distance) C4'-P energy: -32.393
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -420.125425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.125425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.125425 (E_RNA)
where:
Base-Base interactions energy: -273.766
where: short stacking energy: -121.890
Base-Backbone interact. energy: -0.095
local terms energy: -146.264448
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -40.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -386.502810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.502810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.502810 (E_RNA)
where:
Base-Base interactions energy: -258.091
where: short stacking energy: -111.038
Base-Backbone interact. energy: -0.791
local terms energy: -127.621558
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -17.057
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -175.421844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.421844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.421844 (E_RNA)
where:
Base-Base interactions energy: -68.562
where: short stacking energy: -62.800
Base-Backbone interact. energy: -2.996
local terms energy: -103.863165
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -255.108583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.108583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.108583 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -89.265
Base-Backbone interact. energy: 2.747
local terms energy: -118.114773
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -150.972687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.972687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.972687 (E_RNA)
where:
Base-Base interactions energy: -60.695
where: short stacking energy: -35.817
Base-Backbone interact. energy: -1.316
local terms energy: -88.961053
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: 1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -137.970678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.970678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.970678 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.607
local terms energy: -98.859241
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -532.653019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.653019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.653019 (E_RNA)
where:
Base-Base interactions energy: -361.302
where: short stacking energy: -139.915
Base-Backbone interact. energy: -0.777
local terms energy: -170.573411
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -510.790190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.790190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.790190 (E_RNA)
where:
Base-Base interactions energy: -344.455
where: short stacking energy: -147.829
Base-Backbone interact. energy: -0.715
local terms energy: -165.619977
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -39.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -526.865068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.865068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.865068 (E_RNA)
where:
Base-Base interactions energy: -352.686
where: short stacking energy: -149.356
Base-Backbone interact. energy: -0.088
local terms energy: -174.091104
where:
bonds (distance) C4'-P energy: -34.539
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: -47.277
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: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -461.686264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.686264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.686264 (E_RNA)
where:
Base-Base interactions energy: -307.342
where: short stacking energy: -130.932
Base-Backbone interact. energy: -0.399
local terms energy: -153.945146
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -41.094
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -440.257296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.257296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.257296 (E_RNA)
where:
Base-Base interactions energy: -288.621
where: short stacking energy: -123.186
Base-Backbone interact. energy: -0.116
local terms energy: -151.520235
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -34.155
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -39.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -402.462790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.462790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.462790 (E_RNA)
where:
Base-Base interactions energy: -263.821
where: short stacking energy: -122.742
Base-Backbone interact. energy: -0.679
local terms energy: -137.962804
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -33.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -278.758007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.758007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.758007 (E_RNA)
where:
Base-Base interactions energy: -176.077
where: short stacking energy: -87.698
Base-Backbone interact. energy: 0.384
local terms energy: -103.065028
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -26.445
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -156.572284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.572284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.572284 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -53.100
Base-Backbone interact. energy: -0.705
local terms energy: -96.251826
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -0.432
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -147.913124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.913124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.913124 (E_RNA)
where:
Base-Base interactions energy: -52.019
where: short stacking energy: -32.219
Base-Backbone interact. energy: 0.351
local terms energy: -96.244975
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: 3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -128.619132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.619132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.619132 (E_RNA)
where:
Base-Base interactions energy: -45.306
where: short stacking energy: -37.313
Base-Backbone interact. energy: 0.986
local terms energy: -84.299429
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -535.969910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.969910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.969910 (E_RNA)
where:
Base-Base interactions energy: -369.333
where: short stacking energy: -161.618
Base-Backbone interact. energy: -0.060
local terms energy: -166.577396
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -48.839
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: 225
Temperature: 0.950000
Total energy: -527.336426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.336426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.336426 (E_RNA)
where:
Base-Base interactions energy: -355.541
where: short stacking energy: -159.237
Base-Backbone interact. energy: -0.678
local terms energy: -171.117772
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -50.076
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: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -510.631949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.631949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.631949 (E_RNA)
where:
Base-Base interactions energy: -354.077
where: short stacking energy: -155.760
Base-Backbone interact. energy: -1.831
local terms energy: -154.724406
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -25.185
tors. eta vs tors. theta energy: -40.839
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -449.102351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.102351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.102351 (E_RNA)
where:
Base-Base interactions energy: -295.387
where: short stacking energy: -133.932
Base-Backbone interact. energy: 1.212
local terms energy: -154.926667
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -44.444
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -455.305566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.305566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.305566 (E_RNA)
where:
Base-Base interactions energy: -310.332
where: short stacking energy: -135.690
Base-Backbone interact. energy: -0.064
local terms energy: -144.908931
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -42.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -419.044098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.044098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.044098 (E_RNA)
where:
Base-Base interactions energy: -280.286
where: short stacking energy: -122.590
Base-Backbone interact. energy: -0.371
local terms energy: -138.387688
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -20.590
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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -300.216637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.216637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.216637 (E_RNA)
where:
Base-Base interactions energy: -191.399
where: short stacking energy: -84.135
Base-Backbone interact. energy: -1.263
local terms energy: -107.554874
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -173.175966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.175966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175966 (E_RNA)
where:
Base-Base interactions energy: -61.844
where: short stacking energy: -59.903
Base-Backbone interact. energy: -1.395
local terms energy: -109.936712
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -28.155
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -141.706364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.706364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.706364 (E_RNA)
where:
Base-Base interactions energy: -46.853
where: short stacking energy: -34.914
Base-Backbone interact. energy: 0.869
local terms energy: -95.722320
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -26.597
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: 6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -137.286821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.286821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.286821 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.633
local terms energy: -93.198381
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -22.137
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -547.530310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.530310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.530310 (E_RNA)
where:
Base-Base interactions energy: -378.805
where: short stacking energy: -155.127
Base-Backbone interact. energy: -0.484
local terms energy: -168.240503
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -34.816
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -48.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -521.326281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.326281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.326281 (E_RNA)
where:
Base-Base interactions energy: -352.783
where: short stacking energy: -150.778
Base-Backbone interact. energy: -0.221
local terms energy: -168.322083
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -48.273
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -510.328552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.328552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.328552 (E_RNA)
where:
Base-Base interactions energy: -344.611
where: short stacking energy: -147.211
Base-Backbone interact. energy: 0.875
local terms energy: -166.592670
where:
bonds (distance) C4'-P energy: -35.135
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -42.739
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: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -450.429831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.429831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.429831 (E_RNA)
where:
Base-Base interactions energy: -294.094
where: short stacking energy: -137.111
Base-Backbone interact. energy: -0.214
local terms energy: -156.121909
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -44.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -463.750199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.750199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.750199 (E_RNA)
where:
Base-Base interactions energy: -313.407
where: short stacking energy: -135.544
Base-Backbone interact. energy: -0.377
local terms energy: -149.966503
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -45.467
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: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -420.645680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.645680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.645680 (E_RNA)
where:
Base-Base interactions energy: -281.754
where: short stacking energy: -111.488
Base-Backbone interact. energy: -1.201
local terms energy: -137.691288
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -31.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -269.857396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.857396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.857396 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -67.550
Base-Backbone interact. energy: -0.100
local terms energy: -116.813793
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -163.990381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.990381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.990381 (E_RNA)
where:
Base-Base interactions energy: -64.643
where: short stacking energy: -57.748
Base-Backbone interact. energy: 1.788
local terms energy: -101.135132
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -159.813521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813521 (E_RNA)
where:
Base-Base interactions energy: -63.361
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.528
local terms energy: -95.924044
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -147.622473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.622473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.622473 (E_RNA)
where:
Base-Base interactions energy: -53.616
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.116
local terms energy: -93.889702
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -540.867294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.867294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.867294 (E_RNA)
where:
Base-Base interactions energy: -377.017
where: short stacking energy: -162.748
Base-Backbone interact. energy: -0.109
local terms energy: -163.741217
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -27.575
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -51.986
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: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -519.943422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.943422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.943422 (E_RNA)
where:
Base-Base interactions energy: -353.871
where: short stacking energy: -139.780
Base-Backbone interact. energy: -0.049
local terms energy: -166.023262
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -47.588
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: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -513.847472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.847472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.847472 (E_RNA)
where:
Base-Base interactions energy: -355.196
where: short stacking energy: -138.152
Base-Backbone interact. energy: -0.261
local terms energy: -158.390137
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -449.191157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.191157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.191157 (E_RNA)
where:
Base-Base interactions energy: -288.315
where: short stacking energy: -129.254
Base-Backbone interact. energy: -0.127
local terms energy: -160.749004
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -39.166
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -441.157896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.157896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.157896 (E_RNA)
where:
Base-Base interactions energy: -294.150
where: short stacking energy: -129.673
Base-Backbone interact. energy: -0.329
local terms energy: -146.679060
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -17.693
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: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -425.536923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.536923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.536923 (E_RNA)
where:
Base-Base interactions energy: -291.853
where: short stacking energy: -112.808
Base-Backbone interact. energy: -0.222
local terms energy: -133.461963
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -33.738
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: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -253.424385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.424385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.424385 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.103
local terms energy: -122.115609
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -20.869
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: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -163.483366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.483366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.483366 (E_RNA)
where:
Base-Base interactions energy: -52.559
where: short stacking energy: -29.312
Base-Backbone interact. energy: -1.009
local terms energy: -109.915717
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: 3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -138.498357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.498357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.498357 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -44.954
Base-Backbone interact. energy: 1.394
local terms energy: -88.983725
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -2.750
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: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -150.803425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.803425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.803425 (E_RNA)
where:
Base-Base interactions energy: -59.582
where: short stacking energy: -41.003
Base-Backbone interact. energy: -0.638
local terms energy: -90.583782
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -526.662699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.662699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.662699 (E_RNA)
where:
Base-Base interactions energy: -357.396
where: short stacking energy: -152.333
Base-Backbone interact. energy: -0.771
local terms energy: -168.495354
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -524.053302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.053302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.053302 (E_RNA)
where:
Base-Base interactions energy: -352.108
where: short stacking energy: -158.079
Base-Backbone interact. energy: -0.437
local terms energy: -171.507780
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -31.191
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -51.828
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: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -504.029200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.029200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.029200 (E_RNA)
where:
Base-Base interactions energy: -346.172
where: short stacking energy: -145.577
Base-Backbone interact. energy: -0.339
local terms energy: -157.517888
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -43.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -453.113153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.113153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.113153 (E_RNA)
where:
Base-Base interactions energy: -301.920
where: short stacking energy: -134.486
Base-Backbone interact. energy: 0.168
local terms energy: -151.361715
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -24.159
tors. eta vs tors. theta energy: -38.135
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: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -450.168787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.168787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.168787 (E_RNA)
where:
Base-Base interactions energy: -309.379
where: short stacking energy: -127.112
Base-Backbone interact. energy: -0.690
local terms energy: -140.099794
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -38.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -398.708940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.708940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.708940 (E_RNA)
where:
Base-Base interactions energy: -268.301
where: short stacking energy: -107.851
Base-Backbone interact. energy: -1.397
local terms energy: -129.010464
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -28.581
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: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -260.759023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.759023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.759023 (E_RNA)
where:
Base-Base interactions energy: -150.890
where: short stacking energy: -84.169
Base-Backbone interact. energy: 3.449
local terms energy: -113.317865
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -198.017506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.017506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.017506 (E_RNA)
where:
Base-Base interactions energy: -92.604
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.889
local terms energy: -104.524228
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -164.037052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.037052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.037052 (E_RNA)
where:
Base-Base interactions energy: -64.515
where: short stacking energy: -59.310
Base-Backbone interact. energy: 0.831
local terms energy: -100.352788
where:
bonds (distance) C4'-P energy: -25.440
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -158.263121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.263121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.263121 (E_RNA)
where:
Base-Base interactions energy: -51.575
where: short stacking energy: -35.305
Base-Backbone interact. energy: 0.987
local terms energy: -107.674691
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -15.276
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -519.375032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.375032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.375032 (E_RNA)
where:
Base-Base interactions energy: -345.450
where: short stacking energy: -154.277
Base-Backbone interact. energy: -1.019
local terms energy: -172.906534
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -37.548
flat angles P-C4'-P energy: -27.355
tors. eta vs tors. theta energy: -44.998
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: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -509.629702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.629702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.629702 (E_RNA)
where:
Base-Base interactions energy: -346.271
where: short stacking energy: -149.022
Base-Backbone interact. energy: -0.211
local terms energy: -163.148270
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -531.569911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.569911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.569911 (E_RNA)
where:
Base-Base interactions energy: -368.176
where: short stacking energy: -160.166
Base-Backbone interact. energy: 0.670
local terms energy: -164.063114
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -47.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -468.498732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.498732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.498732 (E_RNA)
where:
Base-Base interactions energy: -313.807
where: short stacking energy: -140.199
Base-Backbone interact. energy: -0.260
local terms energy: -154.431414
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -42.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -435.371641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.371641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.371641 (E_RNA)
where:
Base-Base interactions energy: -282.062
where: short stacking energy: -142.451
Base-Backbone interact. energy: -0.447
local terms energy: -152.862304
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -31.960
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -45.443
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: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -390.705561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.705561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.705561 (E_RNA)
where:
Base-Base interactions energy: -264.177
where: short stacking energy: -116.056
Base-Backbone interact. energy: 0.715
local terms energy: -127.243193
where:
bonds (distance) C4'-P energy: -26.363
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -277.509756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.509756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.509756 (E_RNA)
where:
Base-Base interactions energy: -161.369
where: short stacking energy: -89.625
Base-Backbone interact. energy: -0.548
local terms energy: -115.593268
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -180.707233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.707233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.707233 (E_RNA)
where:
Base-Base interactions energy: -80.224
where: short stacking energy: -44.531
Base-Backbone interact. energy: 1.106
local terms energy: -101.588997
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -201.337550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.337550 (E_RNA)
where:
Base-Base interactions energy: -98.311
where: short stacking energy: -64.040
Base-Backbone interact. energy: 2.176
local terms energy: -105.203168
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -132.026273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.026273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.026273 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.716
local terms energy: -93.782334
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: 7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -522.805113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.805113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.805113 (E_RNA)
where:
Base-Base interactions energy: -349.045
where: short stacking energy: -147.176
Base-Backbone interact. energy: -0.090
local terms energy: -173.669955
where:
bonds (distance) C4'-P energy: -34.941
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -46.073
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: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -519.835398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.835398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.835398 (E_RNA)
where:
Base-Base interactions energy: -361.982
where: short stacking energy: -160.430
Base-Backbone interact. energy: -0.010
local terms energy: -157.842623
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -529.059376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.059376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.059376 (E_RNA)
where:
Base-Base interactions energy: -361.451
where: short stacking energy: -153.530
Base-Backbone interact. energy: -0.044
local terms energy: -167.564665
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -46.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -482.267924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.267924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.267924 (E_RNA)
where:
Base-Base interactions energy: -314.808
where: short stacking energy: -143.132
Base-Backbone interact. energy: -0.721
local terms energy: -166.739223
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -30.201
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: -47.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -432.377282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.377282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.377282 (E_RNA)
where:
Base-Base interactions energy: -289.172
where: short stacking energy: -127.624
Base-Backbone interact. energy: -0.006
local terms energy: -143.199733
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -40.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -405.098581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.098581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.098581 (E_RNA)
where:
Base-Base interactions energy: -275.920
where: short stacking energy: -114.451
Base-Backbone interact. energy: -2.050
local terms energy: -127.128124
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -34.625
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: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -259.059228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.059228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.059228 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -70.951
Base-Backbone interact. energy: -1.173
local terms energy: -114.597929
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -170.605770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.605770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.605770 (E_RNA)
where:
Base-Base interactions energy: -83.922
where: short stacking energy: -44.540
Base-Backbone interact. energy: -2.493
local terms energy: -84.190446
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -10.631
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -206.626250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626250 (E_RNA)
where:
Base-Base interactions energy: -99.778
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.159
local terms energy: -106.689437
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -151.967339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.967339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.967339 (E_RNA)
where:
Base-Base interactions energy: -52.183
where: short stacking energy: -54.434
Base-Backbone interact. energy: 0.576
local terms energy: -100.360723
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -532.821646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.821646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.821646 (E_RNA)
where:
Base-Base interactions energy: -374.343
where: short stacking energy: -159.185
Base-Backbone interact. energy: -0.373
local terms energy: -158.105552
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -46.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -529.271834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.271834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.271834 (E_RNA)
where:
Base-Base interactions energy: -359.999
where: short stacking energy: -147.046
Base-Backbone interact. energy: 1.113
local terms energy: -170.385130
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -50.548
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -504.611470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.611470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.611470 (E_RNA)
where:
Base-Base interactions energy: -348.238
where: short stacking energy: -152.017
Base-Backbone interact. energy: -0.305
local terms energy: -156.069164
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -50.001
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: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -470.842711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.842711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.842711 (E_RNA)
where:
Base-Base interactions energy: -315.124
where: short stacking energy: -135.976
Base-Backbone interact. energy: -0.390
local terms energy: -155.328142
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -46.396
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: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -431.925931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.925931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.925931 (E_RNA)
where:
Base-Base interactions energy: -283.867
where: short stacking energy: -113.402
Base-Backbone interact. energy: -0.133
local terms energy: -147.926504
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -37.940
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: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -411.357379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.357379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.357379 (E_RNA)
where:
Base-Base interactions energy: -276.914
where: short stacking energy: -119.038
Base-Backbone interact. energy: 0.075
local terms energy: -134.518043
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -263.691706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.691706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.691706 (E_RNA)
where:
Base-Base interactions energy: -140.531
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.384
local terms energy: -122.776890
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -221.958256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.958256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.958256 (E_RNA)
where:
Base-Base interactions energy: -135.049
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.532
local terms energy: -86.377553
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -141.590865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.590865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.590865 (E_RNA)
where:
Base-Base interactions energy: -64.464
where: short stacking energy: -56.111
Base-Backbone interact. energy: 1.241
local terms energy: -78.367817
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -143.723312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.723312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.723312 (E_RNA)
where:
Base-Base interactions energy: -61.749
where: short stacking energy: -52.526
Base-Backbone interact. energy: -1.014
local terms energy: -80.959781
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -541.300632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.300632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.300632 (E_RNA)
where:
Base-Base interactions energy: -372.066
where: short stacking energy: -157.330
Base-Backbone interact. energy: -0.026
local terms energy: -169.208369
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -518.592059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.592059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.592059 (E_RNA)
where:
Base-Base interactions energy: -355.945
where: short stacking energy: -155.883
Base-Backbone interact. energy: -0.711
local terms energy: -161.936983
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -44.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -470.987044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.987044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.987044 (E_RNA)
where:
Base-Base interactions energy: -305.943
where: short stacking energy: -135.626
Base-Backbone interact. energy: -0.265
local terms energy: -164.778889
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -43.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -489.438853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.438853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.438853 (E_RNA)
where:
Base-Base interactions energy: -334.821
where: short stacking energy: -151.247
Base-Backbone interact. energy: -0.072
local terms energy: -154.546032
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -45.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -441.229100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.229100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.229100 (E_RNA)
where:
Base-Base interactions energy: -283.076
where: short stacking energy: -128.834
Base-Backbone interact. energy: -0.590
local terms energy: -157.563110
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -44.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -416.093347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.093347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.093347 (E_RNA)
where:
Base-Base interactions energy: -273.963
where: short stacking energy: -116.298
Base-Backbone interact. energy: -0.473
local terms energy: -141.656824
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -251.295603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.295603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.295603 (E_RNA)
where:
Base-Base interactions energy: -139.805
where: short stacking energy: -65.862
Base-Backbone interact. energy: -0.577
local terms energy: -110.913712
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -257.272744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.272744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.272744 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -69.471
Base-Backbone interact. energy: -1.236
local terms energy: -116.225020
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -154.758610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.758610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.758610 (E_RNA)
where:
Base-Base interactions energy: -66.767
where: short stacking energy: -33.121
Base-Backbone interact. energy: -0.595
local terms energy: -87.397023
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: 3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -163.084887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084887 (E_RNA)
where:
Base-Base interactions energy: -62.834
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.228
local terms energy: -100.023185
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -532.907428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.907428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.907428 (E_RNA)
where:
Base-Base interactions energy: -363.128
where: short stacking energy: -151.110
Base-Backbone interact. energy: -0.446
local terms energy: -169.333218
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -44.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -524.474748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.474748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.474748 (E_RNA)
where:
Base-Base interactions energy: -356.075
where: short stacking energy: -154.320
Base-Backbone interact. energy: -0.066
local terms energy: -168.333612
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -45.041
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: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -485.785241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.785241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.785241 (E_RNA)
where:
Base-Base interactions energy: -317.918
where: short stacking energy: -137.355
Base-Backbone interact. energy: -0.424
local terms energy: -167.442778
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -30.392
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -44.601
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: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -494.584983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.584983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.584983 (E_RNA)
where:
Base-Base interactions energy: -335.987
where: short stacking energy: -135.950
Base-Backbone interact. energy: 0.143
local terms energy: -158.741322
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -32.866
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -43.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -436.730696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.730696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.730696 (E_RNA)
where:
Base-Base interactions energy: -284.883
where: short stacking energy: -129.758
Base-Backbone interact. energy: -0.379
local terms energy: -151.468807
where:
bonds (distance) C4'-P energy: -33.163
bonds (distance) P-C4' energy: -34.557
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -39.315
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: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -413.473930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.473930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.473930 (E_RNA)
where:
Base-Base interactions energy: -267.430
where: short stacking energy: -106.880
Base-Backbone interact. energy: -0.536
local terms energy: -145.507781
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -29.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -254.264261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.264261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.264261 (E_RNA)
where:
Base-Base interactions energy: -139.825
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.906
local terms energy: -113.532906
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -233.495000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.495000 (E_RNA)
where:
Base-Base interactions energy: -123.128
where: short stacking energy: -56.216
Base-Backbone interact. energy: 0.453
local terms energy: -110.819284
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -8.680
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: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -143.609533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.609533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.609533 (E_RNA)
where:
Base-Base interactions energy: -55.958
where: short stacking energy: -41.564
Base-Backbone interact. energy: -1.473
local terms energy: -86.178534
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -136.639128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.639128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.639128 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -49.886
Base-Backbone interact. energy: -1.160
local terms energy: -84.787592
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -8.232
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: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -531.460005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.460005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.460005 (E_RNA)
where:
Base-Base interactions energy: -363.631
where: short stacking energy: -152.217
Base-Backbone interact. energy: -0.792
local terms energy: -167.037470
where:
bonds (distance) C4'-P energy: -27.501
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -45.342
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: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -525.365453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.365453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.365453 (E_RNA)
where:
Base-Base interactions energy: -362.522
where: short stacking energy: -154.452
Base-Backbone interact. energy: -0.031
local terms energy: -162.812546
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -46.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -487.991827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.991827 (E_RNA)
where:
Base-Base interactions energy: -329.551
where: short stacking energy: -155.306
Base-Backbone interact. energy: 0.368
local terms energy: -158.808871
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -44.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -500.635374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.635374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.635374 (E_RNA)
where:
Base-Base interactions energy: -338.516
where: short stacking energy: -139.998
Base-Backbone interact. energy: -0.047
local terms energy: -162.072947
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -422.412876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.412876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.412876 (E_RNA)
where:
Base-Base interactions energy: -279.136
where: short stacking energy: -128.324
Base-Backbone interact. energy: 0.506
local terms energy: -143.783417
where:
bonds (distance) C4'-P energy: -28.379
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -402.682950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.682950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.682950 (E_RNA)
where:
Base-Base interactions energy: -274.924
where: short stacking energy: -126.218
Base-Backbone interact. energy: 0.296
local terms energy: -128.054736
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -35.034
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -15.679
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: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -261.264892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.264892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.264892 (E_RNA)
where:
Base-Base interactions energy: -135.530
where: short stacking energy: -70.545
Base-Backbone interact. energy: 0.839
local terms energy: -126.573671
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -158.568346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.568346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.568346 (E_RNA)
where:
Base-Base interactions energy: -48.764
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.117
local terms energy: -109.686772
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -141.366708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.366708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.366708 (E_RNA)
where:
Base-Base interactions energy: -54.404
where: short stacking energy: -39.063
Base-Backbone interact. energy: -0.597
local terms energy: -86.366373
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -137.905635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.905635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.905635 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -37.261
Base-Backbone interact. energy: -1.068
local terms energy: -94.068009
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: 3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -535.717733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.717733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.717733 (E_RNA)
where:
Base-Base interactions energy: -356.834
where: short stacking energy: -154.121
Base-Backbone interact. energy: -0.006
local terms energy: -178.878126
where:
bonds (distance) C4'-P energy: -31.623
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -50.257
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: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -520.987239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.987239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.987239 (E_RNA)
where:
Base-Base interactions energy: -360.338
where: short stacking energy: -164.539
Base-Backbone interact. energy: -0.014
local terms energy: -160.635110
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -51.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -494.884233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.884233 (E_RNA)
where:
Base-Base interactions energy: -337.521
where: short stacking energy: -143.123
Base-Backbone interact. energy: -0.808
local terms energy: -156.554691
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -45.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -493.677562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.677562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.677562 (E_RNA)
where:
Base-Base interactions energy: -338.787
where: short stacking energy: -137.273
Base-Backbone interact. energy: -0.045
local terms energy: -154.845961
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -43.773
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: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -437.310376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.310376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.310376 (E_RNA)
where:
Base-Base interactions energy: -293.780
where: short stacking energy: -125.691
Base-Backbone interact. energy: -0.273
local terms energy: -143.257741
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -37.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -422.924592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.924592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.924592 (E_RNA)
where:
Base-Base interactions energy: -279.682
where: short stacking energy: -118.449
Base-Backbone interact. energy: -0.953
local terms energy: -142.289951
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -32.705
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -19.147
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: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -256.596529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.596529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.596529 (E_RNA)
where:
Base-Base interactions energy: -137.668
where: short stacking energy: -74.003
Base-Backbone interact. energy: -1.440
local terms energy: -117.487936
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -30.189
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -154.528193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.528193 (E_RNA)
where:
Base-Base interactions energy: -55.687
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.697
local terms energy: -98.144271
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: 3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -137.134848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.134848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.134848 (E_RNA)
where:
Base-Base interactions energy: -64.620
where: short stacking energy: -58.434
Base-Backbone interact. energy: -0.599
local terms energy: -71.916090
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.568
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: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -140.740193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.740193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.740193 (E_RNA)
where:
Base-Base interactions energy: -55.459
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.853
local terms energy: -84.427788
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: 2.984
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -537.770716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.770716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.770716 (E_RNA)
where:
Base-Base interactions energy: -370.220
where: short stacking energy: -161.637
Base-Backbone interact. energy: 0.019
local terms energy: -167.570058
where:
bonds (distance) C4'-P energy: -33.822
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -527.668925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.668925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.668925 (E_RNA)
where:
Base-Base interactions energy: -357.742
where: short stacking energy: -159.679
Base-Backbone interact. energy: -0.018
local terms energy: -169.909495
where:
bonds (distance) C4'-P energy: -30.238
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -52.118
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: 236
Temperature: 1.000000
Total energy: -476.924561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.924561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.924561 (E_RNA)
where:
Base-Base interactions energy: -324.596
where: short stacking energy: -140.984
Base-Backbone interact. energy: -0.924
local terms energy: -151.404196
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -40.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -478.296850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.296850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.296850 (E_RNA)
where:
Base-Base interactions energy: -323.782
where: short stacking energy: -145.630
Base-Backbone interact. energy: -0.462
local terms energy: -154.052932
where:
bonds (distance) C4'-P energy: -25.266
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -42.868
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: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -439.632587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.632587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.632587 (E_RNA)
where:
Base-Base interactions energy: -297.501
where: short stacking energy: -124.483
Base-Backbone interact. energy: -0.661
local terms energy: -141.470636
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -34.744
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -40.847
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -415.443407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.443407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.443407 (E_RNA)
where:
Base-Base interactions energy: -270.943
where: short stacking energy: -103.428
Base-Backbone interact. energy: -0.387
local terms energy: -144.113072
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -29.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -290.054733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.054733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.054733 (E_RNA)
where:
Base-Base interactions energy: -166.586
where: short stacking energy: -78.373
Base-Backbone interact. energy: 1.283
local terms energy: -124.751719
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -10.984
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -157.464404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.464404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.464404 (E_RNA)
where:
Base-Base interactions energy: -51.603
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.337
local terms energy: -105.524530
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -200.742382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.742382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.742382 (E_RNA)
where:
Base-Base interactions energy: -105.568
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.975
local terms energy: -94.199526
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -10.495
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -132.029454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.029454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.029454 (E_RNA)
where:
Base-Base interactions energy: -56.478
where: short stacking energy: -43.134
Base-Backbone interact. energy: 0.544
local terms energy: -76.095063
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -10.838
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: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -531.397850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.397850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.397850 (E_RNA)
where:
Base-Base interactions energy: -358.824
where: short stacking energy: -156.664
Base-Backbone interact. energy: -0.635
local terms energy: -171.939294
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -38.893
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -49.824
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -530.008096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.008096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.008096 (E_RNA)
where:
Base-Base interactions energy: -350.011
where: short stacking energy: -157.360
Base-Backbone interact. energy: 0.011
local terms energy: -180.008204
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -51.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -475.118577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.118577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.118577 (E_RNA)
where:
Base-Base interactions energy: -317.542
where: short stacking energy: -139.342
Base-Backbone interact. energy: -0.237
local terms energy: -157.339597
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -27.336
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -44.383
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: 237
Temperature: 1.050000
Total energy: -489.683784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.683784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.683784 (E_RNA)
where:
Base-Base interactions energy: -341.889
where: short stacking energy: -137.608
Base-Backbone interact. energy: -0.043
local terms energy: -147.751652
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -38.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -431.579505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.579505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.579505 (E_RNA)
where:
Base-Base interactions energy: -295.785
where: short stacking energy: -122.883
Base-Backbone interact. energy: -0.403
local terms energy: -135.391343
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -32.112
flat angles P-C4'-P energy: -16.051
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: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -430.352204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.352204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.352204 (E_RNA)
where:
Base-Base interactions energy: -281.159
where: short stacking energy: -122.274
Base-Backbone interact. energy: -0.643
local terms energy: -148.550335
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -31.091
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -42.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -318.774109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.774109 (E_RNA)
where:
Base-Base interactions energy: -191.931
where: short stacking energy: -85.831
Base-Backbone interact. energy: -1.128
local terms energy: -125.714685
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -19.509
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: 237
Temperature: 1.250000
Total energy: -235.725403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.725403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.725403 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -68.304
Base-Backbone interact. energy: -0.611
local terms energy: -106.158418
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -150.099202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.099202 (E_RNA)
where:
Base-Base interactions energy: -57.717
where: short stacking energy: -46.199
Base-Backbone interact. energy: -0.818
local terms energy: -91.563758
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -135.392964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.392964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.392964 (E_RNA)
where:
Base-Base interactions energy: -47.093
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.172
local terms energy: -88.127495
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -30.071
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: 7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -534.572555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.572555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.572555 (E_RNA)
where:
Base-Base interactions energy: -368.714
where: short stacking energy: -153.374
Base-Backbone interact. energy: -0.708
local terms energy: -165.151148
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -30.148
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -49.038
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -521.740695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.740695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.740695 (E_RNA)
where:
Base-Base interactions energy: -359.986
where: short stacking energy: -147.892
Base-Backbone interact. energy: -0.193
local terms energy: -161.562014
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -44.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -508.069647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.069647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.069647 (E_RNA)
where:
Base-Base interactions energy: -350.356
where: short stacking energy: -142.065
Base-Backbone interact. energy: -0.880
local terms energy: -156.833294
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -39.755
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -467.702623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.702623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.702623 (E_RNA)
where:
Base-Base interactions energy: -311.836
where: short stacking energy: -132.699
Base-Backbone interact. energy: -0.258
local terms energy: -155.608796
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -432.317593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.317593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.317593 (E_RNA)
where:
Base-Base interactions energy: -293.369
where: short stacking energy: -127.588
Base-Backbone interact. energy: -1.823
local terms energy: -137.125584
where:
bonds (distance) C4'-P energy: -24.152
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -430.241830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.241830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.241830 (E_RNA)
where:
Base-Base interactions energy: -282.133
where: short stacking energy: -127.946
Base-Backbone interact. energy: -0.104
local terms energy: -148.005310
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -43.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -324.320768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.320768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.320768 (E_RNA)
where:
Base-Base interactions energy: -194.098
where: short stacking energy: -99.218
Base-Backbone interact. energy: -0.151
local terms energy: -130.072266
where:
bonds (distance) C4'-P energy: -31.250
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -27.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -239.093846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.093846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.093846 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -63.300
Base-Backbone interact. energy: 0.697
local terms energy: -107.557681
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -155.829540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.829540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.829540 (E_RNA)
where:
Base-Base interactions energy: -49.895
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.384
local terms energy: -105.550411
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -142.510019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.510019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.510019 (E_RNA)
where:
Base-Base interactions energy: -55.251
where: short stacking energy: -52.859
Base-Backbone interact. energy: -1.054
local terms energy: -86.205167
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -525.747904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.747904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.747904 (E_RNA)
where:
Base-Base interactions energy: -357.982
where: short stacking energy: -159.195
Base-Backbone interact. energy: 0.399
local terms energy: -168.164864
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -33.076
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -51.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -507.314715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.314715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.314715 (E_RNA)
where:
Base-Base interactions energy: -349.989
where: short stacking energy: -153.993
Base-Backbone interact. energy: -0.083
local terms energy: -157.243341
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -40.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -517.831885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.831885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.831885 (E_RNA)
where:
Base-Base interactions energy: -366.042
where: short stacking energy: -145.627
Base-Backbone interact. energy: -0.062
local terms energy: -151.727461
where:
bonds (distance) C4'-P energy: -30.068
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -42.163
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: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -456.296662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.296662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.296662 (E_RNA)
where:
Base-Base interactions energy: -302.141
where: short stacking energy: -130.709
Base-Backbone interact. energy: -0.173
local terms energy: -153.982398
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -35.453
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -39.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -418.234111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.234111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.234111 (E_RNA)
where:
Base-Base interactions energy: -288.284
where: short stacking energy: -111.404
Base-Backbone interact. energy: -0.296
local terms energy: -129.654195
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -16.713
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -427.109983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.109983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.109983 (E_RNA)
where:
Base-Base interactions energy: -294.222
where: short stacking energy: -119.112
Base-Backbone interact. energy: -0.124
local terms energy: -132.764476
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -36.498
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: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -306.002477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.002477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.002477 (E_RNA)
where:
Base-Base interactions energy: -182.519
where: short stacking energy: -94.671
Base-Backbone interact. energy: -0.086
local terms energy: -123.396560
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -255.466685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.466685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.466685 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -69.642
Base-Backbone interact. energy: -1.894
local terms energy: -107.463976
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -189.939039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.939039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.939039 (E_RNA)
where:
Base-Base interactions energy: -86.940
where: short stacking energy: -46.311
Base-Backbone interact. energy: -0.403
local terms energy: -102.595878
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -143.450796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.450796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.450796 (E_RNA)
where:
Base-Base interactions energy: -50.276
where: short stacking energy: -32.344
Base-Backbone interact. energy: -0.459
local terms energy: -92.715242
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -525.864059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.864059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.864059 (E_RNA)
where:
Base-Base interactions energy: -356.519
where: short stacking energy: -157.755
Base-Backbone interact. energy: 0.558
local terms energy: -169.902317
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -29.138
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -46.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -522.233361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.233361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.233361 (E_RNA)
where:
Base-Base interactions energy: -353.405
where: short stacking energy: -149.697
Base-Backbone interact. energy: -0.725
local terms energy: -168.103315
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -510.835847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.835847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.835847 (E_RNA)
where:
Base-Base interactions energy: -349.465
where: short stacking energy: -141.324
Base-Backbone interact. energy: -0.785
local terms energy: -160.586173
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -31.097
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -43.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -461.154131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.154131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.154131 (E_RNA)
where:
Base-Base interactions energy: -305.954
where: short stacking energy: -129.859
Base-Backbone interact. energy: -0.822
local terms energy: -154.378123
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -36.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -438.138057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.138057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.138057 (E_RNA)
where:
Base-Base interactions energy: -294.542
where: short stacking energy: -139.363
Base-Backbone interact. energy: -0.591
local terms energy: -143.004495
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -29.147
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -40.630
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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -419.440328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.440328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.440328 (E_RNA)
where:
Base-Base interactions energy: -261.989
where: short stacking energy: -111.209
Base-Backbone interact. energy: -0.637
local terms energy: -156.813688
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -32.757
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -33.809
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: 240
Temperature: 1.200000
Total energy: -262.063028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.063028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.063028 (E_RNA)
where:
Base-Base interactions energy: -144.521
where: short stacking energy: -69.664
Base-Backbone interact. energy: -0.436
local terms energy: -117.106430
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -21.520
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: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -303.304260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.304260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.304260 (E_RNA)
where:
Base-Base interactions energy: -191.786
where: short stacking energy: -96.051
Base-Backbone interact. energy: 0.268
local terms energy: -111.785788
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -22.215
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: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -161.148809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.148809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.148809 (E_RNA)
where:
Base-Base interactions energy: -68.428
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.346
local terms energy: -92.374253
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -18.797
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: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -131.384508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.384508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.384508 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -35.906
Base-Backbone interact. energy: 0.024
local terms energy: -86.371278
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: 3.180
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: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -532.040860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.040860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.040860 (E_RNA)
where:
Base-Base interactions energy: -366.385
where: short stacking energy: -148.138
Base-Backbone interact. energy: -0.879
local terms energy: -164.777008
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -43.788
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: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -524.816125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.816125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.816125 (E_RNA)
where:
Base-Base interactions energy: -361.038
where: short stacking energy: -147.286
Base-Backbone interact. energy: 0.393
local terms energy: -164.170531
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -48.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -522.474090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.474090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.474090 (E_RNA)
where:
Base-Base interactions energy: -358.053
where: short stacking energy: -148.123
Base-Backbone interact. energy: 0.849
local terms energy: -165.269786
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -40.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -450.117944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.117944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.117944 (E_RNA)
where:
Base-Base interactions energy: -307.387
where: short stacking energy: -139.129
Base-Backbone interact. energy: 2.345
local terms energy: -145.076017
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -37.993
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: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -449.304059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.304059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.304059 (E_RNA)
where:
Base-Base interactions energy: -312.637
where: short stacking energy: -129.357
Base-Backbone interact. energy: -0.660
local terms energy: -136.006477
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -39.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -470.459399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.459399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.459399 (E_RNA)
where:
Base-Base interactions energy: -306.562
where: short stacking energy: -144.619
Base-Backbone interact. energy: -0.008
local terms energy: -163.889430
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -52.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -237.621113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.621113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.621113 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -77.134
Base-Backbone interact. energy: 0.866
local terms energy: -114.484072
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -13.222
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -292.267257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.267257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.267257 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -81.714
Base-Backbone interact. energy: -0.803
local terms energy: -115.679956
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -182.754273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.754273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.754273 (E_RNA)
where:
Base-Base interactions energy: -76.711
where: short stacking energy: -44.509
Base-Backbone interact. energy: -2.295
local terms energy: -103.748792
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -34.462
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -22.621
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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -143.334698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.334698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.334698 (E_RNA)
where:
Base-Base interactions energy: -53.450
where: short stacking energy: -53.450
Base-Backbone interact. energy: 1.203
local terms energy: -91.088276
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -1.351
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: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -526.017717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.017717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.017717 (E_RNA)
where:
Base-Base interactions energy: -360.962
where: short stacking energy: -149.629
Base-Backbone interact. energy: -0.519
local terms energy: -164.536232
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -38.438
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -46.313
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: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -527.310443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.310443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.310443 (E_RNA)
where:
Base-Base interactions energy: -364.128
where: short stacking energy: -132.988
Base-Backbone interact. energy: 0.019
local terms energy: -163.201491
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -525.729648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.729648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.729648 (E_RNA)
where:
Base-Base interactions energy: -353.548
where: short stacking energy: -151.720
Base-Backbone interact. energy: -0.237
local terms energy: -171.945450
where:
bonds (distance) C4'-P energy: -33.484
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -44.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -448.828691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.828691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.828691 (E_RNA)
where:
Base-Base interactions energy: -288.935
where: short stacking energy: -126.181
Base-Backbone interact. energy: -1.027
local terms energy: -158.866566
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -463.180664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.180664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.180664 (E_RNA)
where:
Base-Base interactions energy: -314.887
where: short stacking energy: -137.557
Base-Backbone interact. energy: -0.392
local terms energy: -147.901385
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -46.481
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -417.691817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.691817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.691817 (E_RNA)
where:
Base-Base interactions energy: -284.374
where: short stacking energy: -116.821
Base-Backbone interact. energy: -0.258
local terms energy: -133.059363
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -37.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -307.580492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.580492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.580492 (E_RNA)
where:
Base-Base interactions energy: -187.060
where: short stacking energy: -96.805
Base-Backbone interact. energy: 4.722
local terms energy: -125.242351
where:
bonds (distance) C4'-P energy: -26.669
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -259.050597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.050597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.050597 (E_RNA)
where:
Base-Base interactions energy: -146.082
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.238
local terms energy: -112.730466
where:
bonds (distance) C4'-P energy: -31.165
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -137.570186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.570186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.570186 (E_RNA)
where:
Base-Base interactions energy: -46.659
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.435
local terms energy: -90.476326
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -22.814
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: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -183.397921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.397921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.397921 (E_RNA)
where:
Base-Base interactions energy: -88.768
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.438
local terms energy: -94.191990
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -17.065
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: 243
Temperature: 0.900000
Total energy: -536.625710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.625710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.625710 (E_RNA)
where:
Base-Base interactions energy: -367.154
where: short stacking energy: -151.423
Base-Backbone interact. energy: -0.177
local terms energy: -169.294206
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -42.463
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -514.362323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.362323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.362323 (E_RNA)
where:
Base-Base interactions energy: -342.056
where: short stacking energy: -139.725
Base-Backbone interact. energy: -0.318
local terms energy: -171.988682
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -44.503
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -518.509678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.509678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.509678 (E_RNA)
where:
Base-Base interactions energy: -350.115
where: short stacking energy: -148.841
Base-Backbone interact. energy: -0.084
local terms energy: -168.310271
where:
bonds (distance) C4'-P energy: -35.722
bonds (distance) P-C4' energy: -28.244
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -44.793
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: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -459.437032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.437032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.437032 (E_RNA)
where:
Base-Base interactions energy: -303.600
where: short stacking energy: -140.773
Base-Backbone interact. energy: -0.650
local terms energy: -155.186239
where:
bonds (distance) C4'-P energy: -29.620
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -41.465
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: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -424.291011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.291011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.291011 (E_RNA)
where:
Base-Base interactions energy: -282.750
where: short stacking energy: -117.483
Base-Backbone interact. energy: -0.627
local terms energy: -140.913346
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -26.466
flat angles P-C4'-P energy: -18.056
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: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -421.801689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.801689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.801689 (E_RNA)
where:
Base-Base interactions energy: -281.445
where: short stacking energy: -126.585
Base-Backbone interact. energy: -0.511
local terms energy: -139.845705
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -44.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -318.699265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.699265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.699265 (E_RNA)
where:
Base-Base interactions energy: -209.724
where: short stacking energy: -97.607
Base-Backbone interact. energy: 1.059
local terms energy: -110.034145
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -257.557837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.557837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.557837 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.463
local terms energy: -117.443783
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -154.681925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.681925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.681925 (E_RNA)
where:
Base-Base interactions energy: -63.646
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.279
local terms energy: -90.757357
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -163.622266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.622266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.622266 (E_RNA)
where:
Base-Base interactions energy: -68.465
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.183
local terms energy: -94.974311
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -534.370973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.370973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.370973 (E_RNA)
where:
Base-Base interactions energy: -381.881
where: short stacking energy: -156.693
Base-Backbone interact. energy: -0.552
local terms energy: -151.938439
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -42.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -525.370246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.370246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.370246 (E_RNA)
where:
Base-Base interactions energy: -355.473
where: short stacking energy: -150.586
Base-Backbone interact. energy: 0.075
local terms energy: -169.972129
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -44.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -517.568808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.568808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.568808 (E_RNA)
where:
Base-Base interactions energy: -350.696
where: short stacking energy: -157.329
Base-Backbone interact. energy: -0.003
local terms energy: -166.868883
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -21.218
tors. eta vs tors. theta energy: -47.553
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: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -454.582940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.582940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.582940 (E_RNA)
where:
Base-Base interactions energy: -306.933
where: short stacking energy: -142.195
Base-Backbone interact. energy: 1.029
local terms energy: -148.678243
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -22.437
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: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -442.508470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.508470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.508470 (E_RNA)
where:
Base-Base interactions energy: -300.256
where: short stacking energy: -126.237
Base-Backbone interact. energy: -0.349
local terms energy: -141.903188
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -20.118
tors. eta vs tors. theta energy: -35.485
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: 244
Temperature: 1.150000
Total energy: -419.918697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.918697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.918697 (E_RNA)
where:
Base-Base interactions energy: -282.914
where: short stacking energy: -124.474
Base-Backbone interact. energy: -0.130
local terms energy: -136.873895
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -40.675
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -322.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.468598 (E_RNA)
where:
Base-Base interactions energy: -197.018
where: short stacking energy: -93.019
Base-Backbone interact. energy: -0.413
local terms energy: -125.037571
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -26.875
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -23.444
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: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -266.802560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.802560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802560 (E_RNA)
where:
Base-Base interactions energy: -151.375
where: short stacking energy: -87.346
Base-Backbone interact. energy: -0.355
local terms energy: -115.072700
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -34.239
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -145.679931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.679931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.679931 (E_RNA)
where:
Base-Base interactions energy: -51.468
where: short stacking energy: -47.473
Base-Backbone interact. energy: 2.180
local terms energy: -96.392089
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -139.906303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.906303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.906303 (E_RNA)
where:
Base-Base interactions energy: -60.832
where: short stacking energy: -28.169
Base-Backbone interact. energy: 1.846
local terms energy: -80.919406
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: 3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -531.372889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.372889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.372889 (E_RNA)
where:
Base-Base interactions energy: -365.949
where: short stacking energy: -163.226
Base-Backbone interact. energy: -0.040
local terms energy: -165.384173
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -38.293
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -49.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -532.350624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.350624 (E_RNA)
where:
Base-Base interactions energy: -373.447
where: short stacking energy: -155.715
Base-Backbone interact. energy: -0.428
local terms energy: -158.475848
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -514.723803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.723803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.723803 (E_RNA)
where:
Base-Base interactions energy: -346.489
where: short stacking energy: -150.918
Base-Backbone interact. energy: -0.977
local terms energy: -167.257921
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -448.709675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.709675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.709675 (E_RNA)
where:
Base-Base interactions energy: -303.421
where: short stacking energy: -132.667
Base-Backbone interact. energy: -1.175
local terms energy: -144.113056
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -34.393
flat angles P-C4'-P energy: -24.686
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: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -455.964999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.964999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.964999 (E_RNA)
where:
Base-Base interactions energy: -295.227
where: short stacking energy: -130.546
Base-Backbone interact. energy: -0.747
local terms energy: -159.991384
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -420.750806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.750806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.750806 (E_RNA)
where:
Base-Base interactions energy: -288.175
where: short stacking energy: -120.653
Base-Backbone interact. energy: -0.827
local terms energy: -131.747991
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -37.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -320.078767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.078767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.078767 (E_RNA)
where:
Base-Base interactions energy: -205.589
where: short stacking energy: -92.781
Base-Backbone interact. energy: -0.113
local terms energy: -114.377185
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -251.186736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.186736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.186736 (E_RNA)
where:
Base-Base interactions energy: -139.027
where: short stacking energy: -78.356
Base-Backbone interact. energy: -0.820
local terms energy: -111.339695
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -20.546
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: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -140.721723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.721723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.721723 (E_RNA)
where:
Base-Base interactions energy: -54.173
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.456
local terms energy: -86.092784
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -8.961
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: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -135.788826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.788826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.788826 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -31.765
Base-Backbone interact. energy: -0.080
local terms energy: -92.822828
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: 12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -539.891140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.891140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.891140 (E_RNA)
where:
Base-Base interactions energy: -373.161
where: short stacking energy: -162.047
Base-Backbone interact. energy: -0.797
local terms energy: -165.932682
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -39.277
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -44.721
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: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -514.143800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.143800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.143800 (E_RNA)
where:
Base-Base interactions energy: -349.624
where: short stacking energy: -141.834
Base-Backbone interact. energy: -0.119
local terms energy: -164.400847
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -43.024
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -503.212666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.212666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.212666 (E_RNA)
where:
Base-Base interactions energy: -347.918
where: short stacking energy: -140.127
Base-Backbone interact. energy: -0.154
local terms energy: -155.139975
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -448.857298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.857298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.857298 (E_RNA)
where:
Base-Base interactions energy: -303.902
where: short stacking energy: -124.907
Base-Backbone interact. energy: -2.820
local terms energy: -142.136183
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -36.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -456.987103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.987103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.987103 (E_RNA)
where:
Base-Base interactions energy: -310.263
where: short stacking energy: -133.301
Base-Backbone interact. energy: -1.425
local terms energy: -145.298945
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -33.780
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -35.376
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: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -402.274898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.274898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.274898 (E_RNA)
where:
Base-Base interactions energy: -260.463
where: short stacking energy: -112.225
Base-Backbone interact. energy: 0.274
local terms energy: -142.086342
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -36.484
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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -308.477753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.477753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.477753 (E_RNA)
where:
Base-Base interactions energy: -183.599
where: short stacking energy: -87.548
Base-Backbone interact. energy: -0.175
local terms energy: -124.704019
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -264.767543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.767543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.767543 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -72.581
Base-Backbone interact. energy: -0.256
local terms energy: -97.728957
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -143.121256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.121256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.121256 (E_RNA)
where:
Base-Base interactions energy: -51.463
where: short stacking energy: -36.621
Base-Backbone interact. energy: -0.759
local terms energy: -90.899838
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -19.994
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: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -151.679286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.679286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.679286 (E_RNA)
where:
Base-Base interactions energy: -56.269
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.323
local terms energy: -95.087255
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: 6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -530.150047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.150047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.150047 (E_RNA)
where:
Base-Base interactions energy: -361.587
where: short stacking energy: -155.806
Base-Backbone interact. energy: -1.083
local terms energy: -167.479794
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -48.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -524.041082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.041082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.041082 (E_RNA)
where:
Base-Base interactions energy: -362.729
where: short stacking energy: -153.783
Base-Backbone interact. energy: -0.309
local terms energy: -161.003213
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -47.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -502.561056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.561056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.561056 (E_RNA)
where:
Base-Base interactions energy: -347.975
where: short stacking energy: -146.562
Base-Backbone interact. energy: -0.260
local terms energy: -154.325674
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -481.384627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.384627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.384627 (E_RNA)
where:
Base-Base interactions energy: -325.032
where: short stacking energy: -152.796
Base-Backbone interact. energy: -0.414
local terms energy: -155.939343
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -427.512271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.512271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.512271 (E_RNA)
where:
Base-Base interactions energy: -287.883
where: short stacking energy: -125.853
Base-Backbone interact. energy: -0.062
local terms energy: -139.567378
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -432.017459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.017459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.017459 (E_RNA)
where:
Base-Base interactions energy: -291.705
where: short stacking energy: -129.041
Base-Backbone interact. energy: -0.269
local terms energy: -140.043568
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -35.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -310.189240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.189240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.189240 (E_RNA)
where:
Base-Base interactions energy: -187.775
where: short stacking energy: -91.289
Base-Backbone interact. energy: -0.227
local terms energy: -122.187173
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -315.516018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.516018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.516018 (E_RNA)
where:
Base-Base interactions energy: -190.232
where: short stacking energy: -88.691
Base-Backbone interact. energy: -0.208
local terms energy: -125.075835
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -169.231417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.231417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.231417 (E_RNA)
where:
Base-Base interactions energy: -71.744
where: short stacking energy: -59.507
Base-Backbone interact. energy: -0.985
local terms energy: -96.502604
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -145.814818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.814818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.814818 (E_RNA)
where:
Base-Base interactions energy: -58.107
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.111
local terms energy: -87.597071
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -529.878191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.878191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.878191 (E_RNA)
where:
Base-Base interactions energy: -363.718
where: short stacking energy: -162.127
Base-Backbone interact. energy: -0.128
local terms energy: -166.031608
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -34.634
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -520.553871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.553871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.553871 (E_RNA)
where:
Base-Base interactions energy: -358.810
where: short stacking energy: -157.911
Base-Backbone interact. energy: -0.219
local terms energy: -161.524777
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -34.436
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -474.701459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.701459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.701459 (E_RNA)
where:
Base-Base interactions energy: -312.435
where: short stacking energy: -145.079
Base-Backbone interact. energy: -0.059
local terms energy: -162.207825
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -41.875
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: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -500.720582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.720582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.720582 (E_RNA)
where:
Base-Base interactions energy: -341.696
where: short stacking energy: -143.964
Base-Backbone interact. energy: -0.055
local terms energy: -158.969609
where:
bonds (distance) C4'-P energy: -26.365
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -48.482
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: 248
Temperature: 1.100000
Total energy: -436.602095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.602095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.602095 (E_RNA)
where:
Base-Base interactions energy: -305.824
where: short stacking energy: -123.448
Base-Backbone interact. energy: -0.895
local terms energy: -129.883061
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -34.594
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: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -413.629599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.629599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.629599 (E_RNA)
where:
Base-Base interactions energy: -268.364
where: short stacking energy: -115.581
Base-Backbone interact. energy: -0.313
local terms energy: -144.952780
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -37.310
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -337.805961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.805961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.805961 (E_RNA)
where:
Base-Base interactions energy: -215.787
where: short stacking energy: -91.134
Base-Backbone interact. energy: -0.375
local terms energy: -121.643643
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -311.646285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.646285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.646285 (E_RNA)
where:
Base-Base interactions energy: -194.026
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.408
local terms energy: -117.212540
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -147.915638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.915638 (E_RNA)
where:
Base-Base interactions energy: -48.352
where: short stacking energy: -48.005
Base-Backbone interact. energy: 1.325
local terms energy: -100.887852
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -15.302
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: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -162.119638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.119638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.119638 (E_RNA)
where:
Base-Base interactions energy: -71.966
where: short stacking energy: -33.695
Base-Backbone interact. energy: -1.698
local terms energy: -88.455863
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -530.205193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.205193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.205193 (E_RNA)
where:
Base-Base interactions energy: -372.127
where: short stacking energy: -155.003
Base-Backbone interact. energy: -1.597
local terms energy: -156.481948
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -523.840690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.840690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.840690 (E_RNA)
where:
Base-Base interactions energy: -361.188
where: short stacking energy: -152.926
Base-Backbone interact. energy: -0.881
local terms energy: -161.771019
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -46.085
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -473.202902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.202902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.202902 (E_RNA)
where:
Base-Base interactions energy: -319.938
where: short stacking energy: -154.595
Base-Backbone interact. energy: 1.495
local terms energy: -154.760112
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -35.325
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -44.827
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: 249
Temperature: 1.050000
Total energy: -490.289894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.289894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.289894 (E_RNA)
where:
Base-Base interactions energy: -341.778
where: short stacking energy: -148.055
Base-Backbone interact. energy: -0.161
local terms energy: -148.350885
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -42.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -437.822877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.822877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.822877 (E_RNA)
where:
Base-Base interactions energy: -295.833
where: short stacking energy: -121.328
Base-Backbone interact. energy: 0.663
local terms energy: -142.653188
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -23.456
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -409.594312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.594312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.594312 (E_RNA)
where:
Base-Base interactions energy: -275.270
where: short stacking energy: -111.138
Base-Backbone interact. energy: -0.159
local terms energy: -134.164937
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -353.234691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.234691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.234691 (E_RNA)
where:
Base-Base interactions energy: -230.440
where: short stacking energy: -105.135
Base-Backbone interact. energy: 0.128
local terms energy: -122.922753
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -310.210771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.210771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.210771 (E_RNA)
where:
Base-Base interactions energy: -176.568
where: short stacking energy: -84.413
Base-Backbone interact. energy: -1.394
local terms energy: -132.248764
where:
bonds (distance) C4'-P energy: -32.117
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -20.204
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: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -166.837331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.837331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.837331 (E_RNA)
where:
Base-Base interactions energy: -75.048
where: short stacking energy: -46.380
Base-Backbone interact. energy: 3.033
local terms energy: -94.822404
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -3.408
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: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -199.256357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.256357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.256357 (E_RNA)
where:
Base-Base interactions energy: -102.950
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.221
local terms energy: -96.084733
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -530.939108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.939108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.939108 (E_RNA)
where:
Base-Base interactions energy: -370.301
where: short stacking energy: -155.312
Base-Backbone interact. energy: -0.032
local terms energy: -160.605546
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -31.716
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -43.408
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: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -526.705752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.705752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.705752 (E_RNA)
where:
Base-Base interactions energy: -347.203
where: short stacking energy: -156.478
Base-Backbone interact. energy: -0.633
local terms energy: -178.869608
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -50.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -485.215337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.215337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.215337 (E_RNA)
where:
Base-Base interactions energy: -334.270
where: short stacking energy: -142.048
Base-Backbone interact. energy: -0.606
local terms energy: -150.339649
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -34.792
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -39.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -494.795638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.795638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.795638 (E_RNA)
where:
Base-Base interactions energy: -342.856
where: short stacking energy: -146.192
Base-Backbone interact. energy: -0.829
local terms energy: -151.110552
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -46.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -485.425841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.425841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.425841 (E_RNA)
where:
Base-Base interactions energy: -332.243
where: short stacking energy: -138.912
Base-Backbone interact. energy: -0.269
local terms energy: -152.914332
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -40.169
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -397.278000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.278000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.278000 (E_RNA)
where:
Base-Base interactions energy: -251.848
where: short stacking energy: -115.903
Base-Backbone interact. energy: -0.089
local terms energy: -145.341264
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -36.239
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: 250
Temperature: 1.200000
Total energy: -320.244022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.244022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.244022 (E_RNA)
where:
Base-Base interactions energy: -213.526
where: short stacking energy: -98.978
Base-Backbone interact. energy: -0.808
local terms energy: -105.910628
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -354.772341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.772341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.772341 (E_RNA)
where:
Base-Base interactions energy: -225.635
where: short stacking energy: -105.591
Base-Backbone interact. energy: -0.236
local terms energy: -128.901975
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -21.926
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: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -171.873326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.873326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.873326 (E_RNA)
where:
Base-Base interactions energy: -70.572
where: short stacking energy: -37.900
Base-Backbone interact. energy: -1.363
local terms energy: -99.938998
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: 2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -141.095530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.095530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.095530 (E_RNA)
where:
Base-Base interactions energy: -53.637
where: short stacking energy: -46.776
Base-Backbone interact. energy: 0.261
local terms energy: -87.719516
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -533.971384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.971384 (E_RNA)
where:
Base-Base interactions energy: -357.971
where: short stacking energy: -151.976
Base-Backbone interact. energy: -0.657
local terms energy: -175.342882
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -46.632
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -520.948909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.948909 (E_RNA)
where:
Base-Base interactions energy: -357.600
where: short stacking energy: -141.443
Base-Backbone interact. energy: -0.214
local terms energy: -163.135439
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -48.943
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: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -461.350046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.350046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.350046 (E_RNA)
where:
Base-Base interactions energy: -321.246
where: short stacking energy: -138.367
Base-Backbone interact. energy: -0.551
local terms energy: -139.552933
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -35.288
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: 251
Temperature: 1.050000
Total energy: -505.873930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.873930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.873930 (E_RNA)
where:
Base-Base interactions energy: -351.018
where: short stacking energy: -136.690
Base-Backbone interact. energy: -0.835
local terms energy: -154.020435
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -469.053568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.053568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.053568 (E_RNA)
where:
Base-Base interactions energy: -320.224
where: short stacking energy: -133.297
Base-Backbone interact. energy: -0.877
local terms energy: -147.952519
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -35.994
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: 251
Temperature: 1.150000
Total energy: -401.356731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.356731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.356731 (E_RNA)
where:
Base-Base interactions energy: -271.875
where: short stacking energy: -116.264
Base-Backbone interact. energy: -0.444
local terms energy: -129.037663
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -300.057350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.057350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.057350 (E_RNA)
where:
Base-Base interactions energy: -189.134
where: short stacking energy: -87.222
Base-Backbone interact. energy: -0.249
local terms energy: -110.674787
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -19.590
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: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -396.800574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.800574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.800574 (E_RNA)
where:
Base-Base interactions energy: -261.141
where: short stacking energy: -111.293
Base-Backbone interact. energy: 0.238
local terms energy: -135.896809
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -35.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -156.869381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.869381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.869381 (E_RNA)
where:
Base-Base interactions energy: -54.108
where: short stacking energy: -44.712
Base-Backbone interact. energy: -1.086
local terms energy: -101.674442
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -145.522837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.522837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.522837 (E_RNA)
where:
Base-Base interactions energy: -46.464
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.616
local terms energy: -98.442838
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -543.183876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.183876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.183876 (E_RNA)
where:
Base-Base interactions energy: -374.269
where: short stacking energy: -164.764
Base-Backbone interact. energy: -0.110
local terms energy: -168.805176
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -47.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -516.574481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.574481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.574481 (E_RNA)
where:
Base-Base interactions energy: -359.031
where: short stacking energy: -143.001
Base-Backbone interact. energy: -0.813
local terms energy: -156.730171
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -37.287
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -42.268
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -522.150003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.150003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.150003 (E_RNA)
where:
Base-Base interactions energy: -362.982
where: short stacking energy: -153.276
Base-Backbone interact. energy: -0.707
local terms energy: -158.461044
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -34.155
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -47.241
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: 252
Temperature: 1.050000
Total energy: -470.831980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.831980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.831980 (E_RNA)
where:
Base-Base interactions energy: -331.545
where: short stacking energy: -133.180
Base-Backbone interact. energy: 2.444
local terms energy: -141.731503
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -32.165
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -430.900100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.900100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.900100 (E_RNA)
where:
Base-Base interactions energy: -292.253
where: short stacking energy: -129.832
Base-Backbone interact. energy: -0.343
local terms energy: -138.304167
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -26.373
flat angles P-C4'-P energy: -21.114
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: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -462.710632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.710632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.710632 (E_RNA)
where:
Base-Base interactions energy: -305.907
where: short stacking energy: -124.997
Base-Backbone interact. energy: 1.154
local terms energy: -157.957232
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -402.050842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.050842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.050842 (E_RNA)
where:
Base-Base interactions energy: -266.674
where: short stacking energy: -117.352
Base-Backbone interact. energy: -0.405
local terms energy: -134.971270
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -29.999
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -30.552
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: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -294.428667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.428667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.428667 (E_RNA)
where:
Base-Base interactions energy: -185.700
where: short stacking energy: -90.816
Base-Backbone interact. energy: 0.517
local terms energy: -109.245364
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -161.221478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.221478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.221478 (E_RNA)
where:
Base-Base interactions energy: -67.983
where: short stacking energy: -42.514
Base-Backbone interact. energy: -0.321
local terms energy: -92.916786
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: 4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -137.469180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.469180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.469180 (E_RNA)
where:
Base-Base interactions energy: -61.489
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.356
local terms energy: -75.624436
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -537.220723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.220723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.220723 (E_RNA)
where:
Base-Base interactions energy: -368.445
where: short stacking energy: -156.191
Base-Backbone interact. energy: -0.747
local terms energy: -168.029235
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -51.385
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: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -528.126513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.126513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.126513 (E_RNA)
where:
Base-Base interactions energy: -364.045
where: short stacking energy: -150.815
Base-Backbone interact. energy: 1.159
local terms energy: -165.239613
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -48.188
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: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -521.727211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.727211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.727211 (E_RNA)
where:
Base-Base interactions energy: -359.228
where: short stacking energy: -149.453
Base-Backbone interact. energy: -0.661
local terms energy: -161.838388
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -44.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -458.398970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.398970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.398970 (E_RNA)
where:
Base-Base interactions energy: -305.122
where: short stacking energy: -125.539
Base-Backbone interact. energy: -0.131
local terms energy: -153.146704
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -39.662
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: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -425.395822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.395822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.395822 (E_RNA)
where:
Base-Base interactions energy: -280.175
where: short stacking energy: -128.743
Base-Backbone interact. energy: -0.413
local terms energy: -144.808296
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -467.985452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.985452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.985452 (E_RNA)
where:
Base-Base interactions energy: -313.704
where: short stacking energy: -120.768
Base-Backbone interact. energy: -0.293
local terms energy: -153.988741
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -39.732
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: 253
Temperature: 1.200000
Total energy: -390.588460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.588460 (E_RNA)
where:
Base-Base interactions energy: -257.209
where: short stacking energy: -111.209
Base-Backbone interact. energy: -1.725
local terms energy: -131.655034
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -31.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -296.757454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.757454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.757454 (E_RNA)
where:
Base-Base interactions energy: -184.168
where: short stacking energy: -92.755
Base-Backbone interact. energy: -0.191
local terms energy: -112.398639
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -148.487194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.487194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.487194 (E_RNA)
where:
Base-Base interactions energy: -50.901
where: short stacking energy: -31.726
Base-Backbone interact. energy: 1.283
local terms energy: -98.869161
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -147.332227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.332227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.332227 (E_RNA)
where:
Base-Base interactions energy: -58.961
where: short stacking energy: -28.414
Base-Backbone interact. energy: -1.570
local terms energy: -86.800617
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -8.676
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -533.896984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.896984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.896984 (E_RNA)
where:
Base-Base interactions energy: -361.591
where: short stacking energy: -161.387
Base-Backbone interact. energy: 0.117
local terms energy: -172.422208
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -50.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -525.768479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.768479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.768479 (E_RNA)
where:
Base-Base interactions energy: -356.978
where: short stacking energy: -150.029
Base-Backbone interact. energy: -0.056
local terms energy: -168.733781
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -45.860
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -499.493232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.493232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.493232 (E_RNA)
where:
Base-Base interactions energy: -351.798
where: short stacking energy: -143.415
Base-Backbone interact. energy: -0.783
local terms energy: -146.911878
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -40.001
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: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -447.594092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.594092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.594092 (E_RNA)
where:
Base-Base interactions energy: -297.262
where: short stacking energy: -135.568
Base-Backbone interact. energy: -0.041
local terms energy: -150.291218
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -33.111
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -38.782
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -452.883683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.883683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.883683 (E_RNA)
where:
Base-Base interactions energy: -313.351
where: short stacking energy: -131.877
Base-Backbone interact. energy: -0.243
local terms energy: -139.288772
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -39.741
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: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -436.537738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.537738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.537738 (E_RNA)
where:
Base-Base interactions energy: -297.340
where: short stacking energy: -123.063
Base-Backbone interact. energy: -0.531
local terms energy: -138.666220
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -29.874
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -30.943
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: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -310.466848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.466848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.466848 (E_RNA)
where:
Base-Base interactions energy: -183.209
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.831
local terms energy: -126.427213
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -382.094501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.094501 (E_RNA)
where:
Base-Base interactions energy: -262.057
where: short stacking energy: -108.651
Base-Backbone interact. energy: -0.806
local terms energy: -119.231909
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -152.736305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.736305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.736305 (E_RNA)
where:
Base-Base interactions energy: -69.300
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.576
local terms energy: -82.859972
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -135.926854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.926854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.926854 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.343
local terms energy: -92.764207
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: 7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -550.553603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.553603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.553603 (E_RNA)
where:
Base-Base interactions energy: -381.450
where: short stacking energy: -167.497
Base-Backbone interact. energy: -0.108
local terms energy: -168.996045
where:
bonds (distance) C4'-P energy: -31.292
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -53.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -529.226123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.226123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.226123 (E_RNA)
where:
Base-Base interactions energy: -364.624
where: short stacking energy: -149.666
Base-Backbone interact. energy: -0.125
local terms energy: -164.477394
where:
bonds (distance) C4'-P energy: -28.993
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -36.601
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -530.036621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.036621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.036621 (E_RNA)
where:
Base-Base interactions energy: -355.681
where: short stacking energy: -156.829
Base-Backbone interact. energy: -0.023
local terms energy: -174.333370
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -52.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -480.201423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.201423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.201423 (E_RNA)
where:
Base-Base interactions energy: -320.950
where: short stacking energy: -135.460
Base-Backbone interact. energy: -0.286
local terms energy: -158.964814
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -44.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -440.480610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.480610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.480610 (E_RNA)
where:
Base-Base interactions energy: -293.841
where: short stacking energy: -126.920
Base-Backbone interact. energy: -0.751
local terms energy: -145.888709
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -424.971310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.971310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.971310 (E_RNA)
where:
Base-Base interactions energy: -276.693
where: short stacking energy: -123.866
Base-Backbone interact. energy: -0.599
local terms energy: -147.679584
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -34.077
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: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -328.642985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.642985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.642985 (E_RNA)
where:
Base-Base interactions energy: -196.122
where: short stacking energy: -96.709
Base-Backbone interact. energy: 1.488
local terms energy: -134.009720
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -22.802
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: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -356.622111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.622111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.622111 (E_RNA)
where:
Base-Base interactions energy: -236.414
where: short stacking energy: -102.755
Base-Backbone interact. energy: 0.217
local terms energy: -120.424651
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -155.748453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.748453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.748453 (E_RNA)
where:
Base-Base interactions energy: -67.975
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.377
local terms energy: -87.396377
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -136.456872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.456872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.456872 (E_RNA)
where:
Base-Base interactions energy: -66.954
where: short stacking energy: -38.756
Base-Backbone interact. energy: -0.591
local terms energy: -68.911984
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -1.898
tors. eta vs tors. theta energy: 4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -536.907929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.907929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.907929 (E_RNA)
where:
Base-Base interactions energy: -367.101
where: short stacking energy: -159.078
Base-Backbone interact. energy: -0.483
local terms energy: -169.324050
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -35.065
flat angles P-C4'-P energy: -22.801
tors. eta vs tors. theta energy: -52.476
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -529.817263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.817263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.817263 (E_RNA)
where:
Base-Base interactions energy: -356.502
where: short stacking energy: -156.051
Base-Backbone interact. energy: -0.356
local terms energy: -172.958666
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -44.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -522.997559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.997559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.997559 (E_RNA)
where:
Base-Base interactions energy: -357.009
where: short stacking energy: -140.891
Base-Backbone interact. energy: -0.050
local terms energy: -165.938659
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -43.574
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -474.104104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.104104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.104104 (E_RNA)
where:
Base-Base interactions energy: -326.092
where: short stacking energy: -122.039
Base-Backbone interact. energy: -1.262
local terms energy: -146.749774
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -37.251
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -429.637487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.637487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.637487 (E_RNA)
where:
Base-Base interactions energy: -283.790
where: short stacking energy: -132.456
Base-Backbone interact. energy: -0.500
local terms energy: -145.348076
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -37.135
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -441.944601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.944601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.944601 (E_RNA)
where:
Base-Base interactions energy: -305.569
where: short stacking energy: -135.370
Base-Backbone interact. energy: 0.624
local terms energy: -136.999246
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -354.116484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.116484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.116484 (E_RNA)
where:
Base-Base interactions energy: -244.381
where: short stacking energy: -105.813
Base-Backbone interact. energy: -0.089
local terms energy: -109.646316
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -26.979
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -294.645966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.645966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.645966 (E_RNA)
where:
Base-Base interactions energy: -176.771
where: short stacking energy: -81.441
Base-Backbone interact. energy: -0.864
local terms energy: -117.011193
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -193.095254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.095254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.095254 (E_RNA)
where:
Base-Base interactions energy: -95.536
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.287
local terms energy: -97.271470
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -122.113695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.113695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.113695 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -24.425
Base-Backbone interact. energy: 0.503
local terms energy: -83.576095
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -11.846
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: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -527.925785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.925785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.925785 (E_RNA)
where:
Base-Base interactions energy: -365.773
where: short stacking energy: -151.808
Base-Backbone interact. energy: -0.095
local terms energy: -162.057742
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -30.148
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -51.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -524.845914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.845914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.845914 (E_RNA)
where:
Base-Base interactions energy: -363.339
where: short stacking energy: -147.557
Base-Backbone interact. energy: -0.222
local terms energy: -161.284748
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -27.973
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -516.511028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.511028 (E_RNA)
where:
Base-Base interactions energy: -357.605
where: short stacking energy: -150.960
Base-Backbone interact. energy: 0.561
local terms energy: -159.466794
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -46.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -462.694092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.694092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.694092 (E_RNA)
where:
Base-Base interactions energy: -315.077
where: short stacking energy: -125.619
Base-Backbone interact. energy: 1.830
local terms energy: -149.447296
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -30.961
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -36.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -447.040372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.040372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.040372 (E_RNA)
where:
Base-Base interactions energy: -296.206
where: short stacking energy: -124.728
Base-Backbone interact. energy: -0.215
local terms energy: -150.619202
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -449.542252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.542252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.542252 (E_RNA)
where:
Base-Base interactions energy: -307.436
where: short stacking energy: -121.665
Base-Backbone interact. energy: -0.465
local terms energy: -141.641681
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -38.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -412.711909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.711909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.711909 (E_RNA)
where:
Base-Base interactions energy: -261.248
where: short stacking energy: -130.629
Base-Backbone interact. energy: -0.593
local terms energy: -150.870432
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -40.544
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: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -371.526127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.526127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.526127 (E_RNA)
where:
Base-Base interactions energy: -234.553
where: short stacking energy: -112.212
Base-Backbone interact. energy: 2.089
local terms energy: -139.062645
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -20.906
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -34.539
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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -145.041807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.041807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.041807 (E_RNA)
where:
Base-Base interactions energy: -64.637
where: short stacking energy: -44.828
Base-Backbone interact. energy: -0.915
local terms energy: -79.489546
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 1.737
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: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -160.064790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064790 (E_RNA)
where:
Base-Base interactions energy: -47.853
where: short stacking energy: -47.846
Base-Backbone interact. energy: -0.499
local terms energy: -111.712718
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -539.735074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.735074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.735074 (E_RNA)
where:
Base-Base interactions energy: -377.183
where: short stacking energy: -163.369
Base-Backbone interact. energy: -0.423
local terms energy: -162.128673
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -48.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -512.096030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.096030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.096030 (E_RNA)
where:
Base-Base interactions energy: -358.603
where: short stacking energy: -153.073
Base-Backbone interact. energy: -0.904
local terms energy: -152.589058
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -38.635
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: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -503.870495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.870495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.870495 (E_RNA)
where:
Base-Base interactions energy: -338.292
where: short stacking energy: -134.222
Base-Backbone interact. energy: -1.196
local terms energy: -164.381701
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -499.963773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.963773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.963773 (E_RNA)
where:
Base-Base interactions energy: -338.059
where: short stacking energy: -146.517
Base-Backbone interact. energy: 1.418
local terms energy: -163.323342
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -472.349769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.349769 (E_RNA)
where:
Base-Base interactions energy: -333.403
where: short stacking energy: -130.550
Base-Backbone interact. energy: -0.542
local terms energy: -138.405534
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -34.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -440.715527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.715527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.715527 (E_RNA)
where:
Base-Base interactions energy: -299.474
where: short stacking energy: -118.318
Base-Backbone interact. energy: -0.854
local terms energy: -140.387501
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -36.023
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: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -404.368868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.368868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.368868 (E_RNA)
where:
Base-Base interactions energy: -275.117
where: short stacking energy: -120.054
Base-Backbone interact. energy: -0.101
local terms energy: -129.150510
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -298.305788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.305788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.305788 (E_RNA)
where:
Base-Base interactions energy: -180.707
where: short stacking energy: -96.210
Base-Backbone interact. energy: -0.287
local terms energy: -117.311679
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -149.908928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.908928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.908928 (E_RNA)
where:
Base-Base interactions energy: -58.310
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.547
local terms energy: -91.051560
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -149.199635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.199635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.199635 (E_RNA)
where:
Base-Base interactions energy: -53.597
where: short stacking energy: -49.841
Base-Backbone interact. energy: -0.366
local terms energy: -95.236662
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -12.302
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: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -540.720330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.720330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.720330 (E_RNA)
where:
Base-Base interactions energy: -366.768
where: short stacking energy: -157.122
Base-Backbone interact. energy: 0.172
local terms energy: -174.124803
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -48.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -502.881166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.881166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.881166 (E_RNA)
where:
Base-Base interactions energy: -347.208
where: short stacking energy: -132.639
Base-Backbone interact. energy: -0.388
local terms energy: -155.285566
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -35.864
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -41.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -515.743267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.743267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.743267 (E_RNA)
where:
Base-Base interactions energy: -355.506
where: short stacking energy: -147.671
Base-Backbone interact. energy: -0.665
local terms energy: -159.572824
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -44.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -504.472896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.472896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.472896 (E_RNA)
where:
Base-Base interactions energy: -347.062
where: short stacking energy: -136.560
Base-Backbone interact. energy: -0.561
local terms energy: -156.850030
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -43.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -467.702067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.702067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.702067 (E_RNA)
where:
Base-Base interactions energy: -323.077
where: short stacking energy: -134.278
Base-Backbone interact. energy: -0.212
local terms energy: -144.413823
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -37.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -420.605555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.605555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.605555 (E_RNA)
where:
Base-Base interactions energy: -272.088
where: short stacking energy: -117.085
Base-Backbone interact. energy: -0.050
local terms energy: -148.467749
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -407.467038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.467038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.467038 (E_RNA)
where:
Base-Base interactions energy: -280.496
where: short stacking energy: -121.900
Base-Backbone interact. energy: -1.443
local terms energy: -125.527744
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -19.271
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -294.234880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.234880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.234880 (E_RNA)
where:
Base-Base interactions energy: -175.228
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.417
local terms energy: -118.590510
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -156.472112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.472112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.472112 (E_RNA)
where:
Base-Base interactions energy: -67.598
where: short stacking energy: -34.314
Base-Backbone interact. energy: 0.412
local terms energy: -89.285979
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: 1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -133.727421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.727421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.727421 (E_RNA)
where:
Base-Base interactions energy: -46.743
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.170
local terms energy: -86.814852
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: 7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -539.110379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.110379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.110379 (E_RNA)
where:
Base-Base interactions energy: -375.154
where: short stacking energy: -150.795
Base-Backbone interact. energy: -1.072
local terms energy: -162.884751
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -32.609
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -47.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -513.654039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.654039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.654039 (E_RNA)
where:
Base-Base interactions energy: -349.323
where: short stacking energy: -143.896
Base-Backbone interact. energy: 0.556
local terms energy: -164.886578
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -46.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -493.775763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.775763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.775763 (E_RNA)
where:
Base-Base interactions energy: -340.653
where: short stacking energy: -149.200
Base-Backbone interact. energy: -0.668
local terms energy: -152.454427
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -43.640
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -485.953897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.953897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.953897 (E_RNA)
where:
Base-Base interactions energy: -340.360
where: short stacking energy: -140.278
Base-Backbone interact. energy: -0.119
local terms energy: -145.475769
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -39.493
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: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -480.467153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.467153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.467153 (E_RNA)
where:
Base-Base interactions energy: -329.915
where: short stacking energy: -139.903
Base-Backbone interact. energy: -0.026
local terms energy: -150.526535
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -41.636
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: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -424.282597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.282597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.282597 (E_RNA)
where:
Base-Base interactions energy: -274.030
where: short stacking energy: -123.894
Base-Backbone interact. energy: -0.305
local terms energy: -149.948406
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -23.538
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -354.029709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.029709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.029709 (E_RNA)
where:
Base-Base interactions energy: -233.561
where: short stacking energy: -107.386
Base-Backbone interact. energy: -1.343
local terms energy: -119.125442
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -297.488013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.488013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.488013 (E_RNA)
where:
Base-Base interactions energy: -183.695
where: short stacking energy: -94.648
Base-Backbone interact. energy: -0.980
local terms energy: -112.812484
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -27.489
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -187.753311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.753311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.753311 (E_RNA)
where:
Base-Base interactions energy: -91.011
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.169
local terms energy: -96.573445
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -142.577734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.577734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.577734 (E_RNA)
where:
Base-Base interactions energy: -56.796
where: short stacking energy: -56.796
Base-Backbone interact. energy: 1.767
local terms energy: -87.548184
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.792
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -540.538777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.538777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.538777 (E_RNA)
where:
Base-Base interactions energy: -373.855
where: short stacking energy: -142.830
Base-Backbone interact. energy: -0.201
local terms energy: -166.483468
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -39.771
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: 261
Temperature: 0.950000
Total energy: -525.529431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.529431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.529431 (E_RNA)
where:
Base-Base interactions energy: -361.158
where: short stacking energy: -163.075
Base-Backbone interact. energy: -0.007
local terms energy: -164.363684
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -48.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -492.289664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.289664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.289664 (E_RNA)
where:
Base-Base interactions energy: -339.318
where: short stacking energy: -136.642
Base-Backbone interact. energy: -1.257
local terms energy: -151.714407
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -33.047
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: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -495.320391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.320391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.320391 (E_RNA)
where:
Base-Base interactions energy: -339.815
where: short stacking energy: -137.857
Base-Backbone interact. energy: -0.540
local terms energy: -154.965389
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -467.363720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.363720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.363720 (E_RNA)
where:
Base-Base interactions energy: -321.928
where: short stacking energy: -135.775
Base-Backbone interact. energy: -0.021
local terms energy: -145.414336
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -41.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -444.848056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.848056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.848056 (E_RNA)
where:
Base-Base interactions energy: -296.830
where: short stacking energy: -121.217
Base-Backbone interact. energy: 0.255
local terms energy: -148.273092
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -40.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -340.298238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.298238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.298238 (E_RNA)
where:
Base-Base interactions energy: -214.698
where: short stacking energy: -97.956
Base-Backbone interact. energy: -0.894
local terms energy: -124.707211
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -25.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -290.642980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.642980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.642980 (E_RNA)
where:
Base-Base interactions energy: -167.956
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.383
local terms energy: -122.304444
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -32.042
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -208.180250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180250 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -70.875
Base-Backbone interact. energy: -1.078
local terms energy: -94.356793
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -15.107
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: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -130.605020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.605020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.605020 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -42.121
Base-Backbone interact. energy: -0.303
local terms energy: -89.381008
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -533.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.929431 (E_RNA)
where:
Base-Base interactions energy: -366.807
where: short stacking energy: -149.104
Base-Backbone interact. energy: -0.024
local terms energy: -167.098885
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -47.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -529.463011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.463011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.463011 (E_RNA)
where:
Base-Base interactions energy: -376.222
where: short stacking energy: -151.217
Base-Backbone interact. energy: -0.196
local terms energy: -153.045299
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -43.571
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -494.893127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.893127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.893127 (E_RNA)
where:
Base-Base interactions energy: -341.440
where: short stacking energy: -138.377
Base-Backbone interact. energy: -0.191
local terms energy: -153.261736
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -41.261
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -484.252315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.252315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.252315 (E_RNA)
where:
Base-Base interactions energy: -333.028
where: short stacking energy: -148.819
Base-Backbone interact. energy: 0.754
local terms energy: -151.978271
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -42.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -498.233269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.233269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.233269 (E_RNA)
where:
Base-Base interactions energy: -336.254
where: short stacking energy: -142.957
Base-Backbone interact. energy: -0.911
local terms energy: -161.067616
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -47.901
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -435.565606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.565606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.565606 (E_RNA)
where:
Base-Base interactions energy: -279.053
where: short stacking energy: -115.858
Base-Backbone interact. energy: -1.130
local terms energy: -155.382719
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -31.458
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -35.757
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: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -365.640175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.640175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.640175 (E_RNA)
where:
Base-Base interactions energy: -221.427
where: short stacking energy: -100.948
Base-Backbone interact. energy: -0.824
local terms energy: -143.389880
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -297.576190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.576190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.576190 (E_RNA)
where:
Base-Base interactions energy: -197.324
where: short stacking energy: -90.246
Base-Backbone interact. energy: 3.123
local terms energy: -103.375039
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -152.645841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.645841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.645841 (E_RNA)
where:
Base-Base interactions energy: -53.535
where: short stacking energy: -34.379
Base-Backbone interact. energy: 2.176
local terms energy: -101.287247
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -18.723
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -129.842378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.842378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.842378 (E_RNA)
where:
Base-Base interactions energy: -48.595
where: short stacking energy: -44.892
Base-Backbone interact. energy: 2.125
local terms energy: -83.372979
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -543.640063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.640063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.640063 (E_RNA)
where:
Base-Base interactions energy: -376.127
where: short stacking energy: -153.307
Base-Backbone interact. energy: -0.113
local terms energy: -167.400349
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -46.505
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: 263
Temperature: 0.950000
Total energy: -536.103927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.103927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.103927 (E_RNA)
where:
Base-Base interactions energy: -369.871
where: short stacking energy: -140.813
Base-Backbone interact. energy: -0.539
local terms energy: -165.693245
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -35.041
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -44.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -502.788310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.788310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.788310 (E_RNA)
where:
Base-Base interactions energy: -346.611
where: short stacking energy: -135.236
Base-Backbone interact. energy: -0.976
local terms energy: -155.200449
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -34.480
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -494.403466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.403466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.403466 (E_RNA)
where:
Base-Base interactions energy: -340.232
where: short stacking energy: -139.333
Base-Backbone interact. energy: -0.359
local terms energy: -153.813009
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -35.976
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -471.649172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.649172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.649172 (E_RNA)
where:
Base-Base interactions energy: -322.624
where: short stacking energy: -132.157
Base-Backbone interact. energy: -0.317
local terms energy: -148.708253
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -40.763
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: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -431.960873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.960873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.960873 (E_RNA)
where:
Base-Base interactions energy: -290.322
where: short stacking energy: -120.142
Base-Backbone interact. energy: -0.220
local terms energy: -141.418797
where:
bonds (distance) C4'-P energy: -28.095
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -36.711
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: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -370.464291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.464291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.464291 (E_RNA)
where:
Base-Base interactions energy: -237.592
where: short stacking energy: -109.304
Base-Backbone interact. energy: -0.824
local terms energy: -132.048845
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -327.494220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.494220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.494220 (E_RNA)
where:
Base-Base interactions energy: -201.862
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.215
local terms energy: -125.416805
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -153.122839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.122839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.122839 (E_RNA)
where:
Base-Base interactions energy: -51.755
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.700
local terms energy: -100.667484
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -139.652724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.652724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.652724 (E_RNA)
where:
Base-Base interactions energy: -52.766
where: short stacking energy: -37.286
Base-Backbone interact. energy: 1.664
local terms energy: -88.550688
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -529.401189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.401189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.401189 (E_RNA)
where:
Base-Base interactions energy: -366.669
where: short stacking energy: -147.217
Base-Backbone interact. energy: -1.182
local terms energy: -161.549858
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -42.319
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: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -528.341640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.341640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.341640 (E_RNA)
where:
Base-Base interactions energy: -356.743
where: short stacking energy: -156.334
Base-Backbone interact. energy: 1.001
local terms energy: -172.599858
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -44.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -521.687291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.687291 (E_RNA)
where:
Base-Base interactions energy: -358.170
where: short stacking energy: -143.305
Base-Backbone interact. energy: -0.513
local terms energy: -163.003729
where:
bonds (distance) C4'-P energy: -34.430
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -46.529
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -497.215346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.215346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.215346 (E_RNA)
where:
Base-Base interactions energy: -337.487
where: short stacking energy: -138.256
Base-Backbone interact. energy: -1.432
local terms energy: -158.296191
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -42.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -445.596194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.596194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.596194 (E_RNA)
where:
Base-Base interactions energy: -310.525
where: short stacking energy: -134.194
Base-Backbone interact. energy: -1.837
local terms energy: -133.234338
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -23.033
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: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -430.623720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.623720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.623720 (E_RNA)
where:
Base-Base interactions energy: -287.096
where: short stacking energy: -113.508
Base-Backbone interact. energy: 0.070
local terms energy: -143.597698
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -37.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -341.093783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.093783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.093783 (E_RNA)
where:
Base-Base interactions energy: -219.314
where: short stacking energy: -92.405
Base-Backbone interact. energy: -1.023
local terms energy: -120.756640
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -16.478
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: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -346.910957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.910957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.910957 (E_RNA)
where:
Base-Base interactions energy: -224.774
where: short stacking energy: -106.027
Base-Backbone interact. energy: -0.038
local terms energy: -122.098813
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -21.169
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: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -183.731751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.731751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.731751 (E_RNA)
where:
Base-Base interactions energy: -83.572
where: short stacking energy: -57.422
Base-Backbone interact. energy: 0.586
local terms energy: -100.745776
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -132.509874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.509874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.509874 (E_RNA)
where:
Base-Base interactions energy: -50.967
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.763
local terms energy: -80.780003
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -532.751706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.751706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.751706 (E_RNA)
where:
Base-Base interactions energy: -364.597
where: short stacking energy: -143.729
Base-Backbone interact. energy: -0.029
local terms energy: -168.125258
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -40.768
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -526.453944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.453944 (E_RNA)
where:
Base-Base interactions energy: -364.749
where: short stacking energy: -160.731
Base-Backbone interact. energy: -0.112
local terms energy: -161.592900
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -36.337
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -51.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -503.268881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.268881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.268881 (E_RNA)
where:
Base-Base interactions energy: -345.471
where: short stacking energy: -145.655
Base-Backbone interact. energy: -0.628
local terms energy: -157.169464
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -45.016
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: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -486.648834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.648834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.648834 (E_RNA)
where:
Base-Base interactions energy: -329.908
where: short stacking energy: -133.536
Base-Backbone interact. energy: -0.330
local terms energy: -156.410275
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -42.633
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -442.195391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.195391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.195391 (E_RNA)
where:
Base-Base interactions energy: -296.691
where: short stacking energy: -126.181
Base-Backbone interact. energy: -0.583
local terms energy: -144.921111
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -425.342138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.342138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.342138 (E_RNA)
where:
Base-Base interactions energy: -275.878
where: short stacking energy: -133.240
Base-Backbone interact. energy: -0.132
local terms energy: -149.332539
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -45.302
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: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -350.609255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.609255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.609255 (E_RNA)
where:
Base-Base interactions energy: -211.661
where: short stacking energy: -105.469
Base-Backbone interact. energy: 2.293
local terms energy: -141.241167
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -364.941911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.941911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.941911 (E_RNA)
where:
Base-Base interactions energy: -234.854
where: short stacking energy: -101.891
Base-Backbone interact. energy: 0.067
local terms energy: -130.155028
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -27.626
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: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -204.177871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.177871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.177871 (E_RNA)
where:
Base-Base interactions energy: -108.304
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.272
local terms energy: -95.601224
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -133.969009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.969009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.969009 (E_RNA)
where:
Base-Base interactions energy: -60.228
where: short stacking energy: -44.254
Base-Backbone interact. energy: 0.345
local terms energy: -74.085322
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -534.318823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.318823 (E_RNA)
where:
Base-Base interactions energy: -369.017
where: short stacking energy: -149.399
Base-Backbone interact. energy: -0.121
local terms energy: -165.180528
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -33.875
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -46.965
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -522.433303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.433303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.433303 (E_RNA)
where:
Base-Base interactions energy: -361.792
where: short stacking energy: -158.891
Base-Backbone interact. energy: 0.079
local terms energy: -160.720841
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -42.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -522.804431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.804431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.804431 (E_RNA)
where:
Base-Base interactions energy: -359.833
where: short stacking energy: -148.988
Base-Backbone interact. energy: -0.223
local terms energy: -162.748214
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -45.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -502.579696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.579696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.579696 (E_RNA)
where:
Base-Base interactions energy: -342.616
where: short stacking energy: -142.600
Base-Backbone interact. energy: -0.853
local terms energy: -159.111031
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -441.930561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.930561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.930561 (E_RNA)
where:
Base-Base interactions energy: -300.475
where: short stacking energy: -135.258
Base-Backbone interact. energy: -0.643
local terms energy: -140.812383
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -40.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -418.145829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.145829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.145829 (E_RNA)
where:
Base-Base interactions energy: -271.224
where: short stacking energy: -113.344
Base-Backbone interact. energy: -0.091
local terms energy: -146.830276
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -318.585734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.585734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.585734 (E_RNA)
where:
Base-Base interactions energy: -203.160
where: short stacking energy: -87.667
Base-Backbone interact. energy: -1.135
local terms energy: -114.290705
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -318.157564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.157564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.157564 (E_RNA)
where:
Base-Base interactions energy: -201.947
where: short stacking energy: -80.658
Base-Backbone interact. energy: 0.595
local terms energy: -116.805610
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -202.619478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.619478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.619478 (E_RNA)
where:
Base-Base interactions energy: -103.471
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.436
local terms energy: -98.712559
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -147.446382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.446382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.446382 (E_RNA)
where:
Base-Base interactions energy: -42.981
where: short stacking energy: -38.348
Base-Backbone interact. energy: 0.801
local terms energy: -105.266385
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -27.472
flat angles P-C4'-P energy: -21.019
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: 267
Temperature: 0.900000
Total energy: -545.464923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.464923 (E_RNA)
where:
Base-Base interactions energy: -369.720
where: short stacking energy: -146.815
Base-Backbone interact. energy: -0.338
local terms energy: -175.406821
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -518.441298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.441298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.441298 (E_RNA)
where:
Base-Base interactions energy: -361.915
where: short stacking energy: -154.201
Base-Backbone interact. energy: -0.616
local terms energy: -155.910098
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -45.208
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: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -499.051741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.051741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.051741 (E_RNA)
where:
Base-Base interactions energy: -348.488
where: short stacking energy: -148.914
Base-Backbone interact. energy: -1.175
local terms energy: -149.388478
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -46.711
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: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -452.675555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.675555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.675555 (E_RNA)
where:
Base-Base interactions energy: -306.380
where: short stacking energy: -147.532
Base-Backbone interact. energy: -0.301
local terms energy: -145.993985
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -45.448
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: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -486.795929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.795929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.795929 (E_RNA)
where:
Base-Base interactions energy: -334.158
where: short stacking energy: -136.876
Base-Backbone interact. energy: -2.480
local terms energy: -150.157774
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -42.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -385.605997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.605997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.605997 (E_RNA)
where:
Base-Base interactions energy: -250.668
where: short stacking energy: -111.714
Base-Backbone interact. energy: -0.470
local terms energy: -134.467982
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -19.037
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: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -321.879230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.879230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.879230 (E_RNA)
where:
Base-Base interactions energy: -194.250
where: short stacking energy: -89.307
Base-Backbone interact. energy: -0.891
local terms energy: -126.737512
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -26.129
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: 267
Temperature: 1.250000
Total energy: -332.510856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.510856 (E_RNA)
where:
Base-Base interactions energy: -221.188
where: short stacking energy: -86.747
Base-Backbone interact. energy: -0.868
local terms energy: -110.454748
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -155.794785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.794785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.794785 (E_RNA)
where:
Base-Base interactions energy: -55.346
where: short stacking energy: -51.269
Base-Backbone interact. energy: -1.068
local terms energy: -99.380694
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -138.008097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.008097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.008097 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.174
local terms energy: -95.925333
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -527.426561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.426561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.426561 (E_RNA)
where:
Base-Base interactions energy: -367.928
where: short stacking energy: -163.530
Base-Backbone interact. energy: -0.228
local terms energy: -159.271264
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -37.571
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -45.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -520.750632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.750632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.750632 (E_RNA)
where:
Base-Base interactions energy: -367.700
where: short stacking energy: -154.804
Base-Backbone interact. energy: -0.137
local terms energy: -152.914115
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -46.057
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: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -512.924082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.924082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.924082 (E_RNA)
where:
Base-Base interactions energy: -352.219
where: short stacking energy: -138.168
Base-Backbone interact. energy: -0.752
local terms energy: -159.952427
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -456.809476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.809476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.809476 (E_RNA)
where:
Base-Base interactions energy: -295.490
where: short stacking energy: -134.647
Base-Backbone interact. energy: -0.422
local terms energy: -160.897369
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -44.727
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: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -480.979612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.979612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.979612 (E_RNA)
where:
Base-Base interactions energy: -326.745
where: short stacking energy: -146.175
Base-Backbone interact. energy: 0.697
local terms energy: -154.931442
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -399.549179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.549179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.549179 (E_RNA)
where:
Base-Base interactions energy: -266.574
where: short stacking energy: -107.771
Base-Backbone interact. energy: -0.797
local terms energy: -132.177527
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -20.205
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: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -314.972583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.972583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.972583 (E_RNA)
where:
Base-Base interactions energy: -205.098
where: short stacking energy: -99.782
Base-Backbone interact. energy: -0.453
local terms energy: -109.422320
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -261.885879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.885879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.885879 (E_RNA)
where:
Base-Base interactions energy: -149.315
where: short stacking energy: -77.478
Base-Backbone interact. energy: 0.918
local terms energy: -113.488198
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -166.226813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.226813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.226813 (E_RNA)
where:
Base-Base interactions energy: -69.763
where: short stacking energy: -48.140
Base-Backbone interact. energy: -0.733
local terms energy: -95.730359
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -149.727113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.727113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.727113 (E_RNA)
where:
Base-Base interactions energy: -71.955
where: short stacking energy: -43.360
Base-Backbone interact. energy: -0.875
local terms energy: -76.896767
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: 4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -537.196883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.196883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.196883 (E_RNA)
where:
Base-Base interactions energy: -367.997
where: short stacking energy: -160.167
Base-Backbone interact. energy: -0.105
local terms energy: -169.095467
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -48.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -513.470299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.470299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.470299 (E_RNA)
where:
Base-Base interactions energy: -357.492
where: short stacking energy: -146.132
Base-Backbone interact. energy: -0.804
local terms energy: -155.174547
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -46.012
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -506.174728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.174728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.174728 (E_RNA)
where:
Base-Base interactions energy: -342.346
where: short stacking energy: -144.619
Base-Backbone interact. energy: -0.843
local terms energy: -162.986412
where:
bonds (distance) C4'-P energy: -34.592
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -39.996
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: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -488.623033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.623033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.623033 (E_RNA)
where:
Base-Base interactions energy: -336.490
where: short stacking energy: -132.232
Base-Backbone interact. energy: -0.673
local terms energy: -151.459333
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -43.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -429.935612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.935612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.935612 (E_RNA)
where:
Base-Base interactions energy: -291.977
where: short stacking energy: -129.337
Base-Backbone interact. energy: -0.228
local terms energy: -137.729978
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -33.320
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: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -402.020728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.020728 (E_RNA)
where:
Base-Base interactions energy: -254.247
where: short stacking energy: -106.557
Base-Backbone interact. energy: -0.157
local terms energy: -147.616808
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -35.226
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -349.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.548481 (E_RNA)
where:
Base-Base interactions energy: -226.275
where: short stacking energy: -106.945
Base-Backbone interact. energy: 0.538
local terms energy: -123.811572
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -30.954
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: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -294.848295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.848295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.848295 (E_RNA)
where:
Base-Base interactions energy: -172.187
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.474
local terms energy: -122.187078
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -145.938876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.938876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.938876 (E_RNA)
where:
Base-Base interactions energy: -55.728
where: short stacking energy: -44.199
Base-Backbone interact. energy: 2.179
local terms energy: -92.389951
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -12.115
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: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -127.391812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.391812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.391812 (E_RNA)
where:
Base-Base interactions energy: -42.564
where: short stacking energy: -27.388
Base-Backbone interact. energy: -2.170
local terms energy: -82.657111
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -8.512
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: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -529.383499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.383499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.383499 (E_RNA)
where:
Base-Base interactions energy: -356.739
where: short stacking energy: -160.141
Base-Backbone interact. energy: -0.708
local terms energy: -171.937270
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -50.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -527.873149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.873149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.873149 (E_RNA)
where:
Base-Base interactions energy: -355.016
where: short stacking energy: -159.048
Base-Backbone interact. energy: -0.794
local terms energy: -172.063293
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -46.912
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: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -514.987134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.987134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.987134 (E_RNA)
where:
Base-Base interactions energy: -351.973
where: short stacking energy: -152.709
Base-Backbone interact. energy: -0.241
local terms energy: -162.773239
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -46.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -509.368910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.368910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.368910 (E_RNA)
where:
Base-Base interactions energy: -349.803
where: short stacking energy: -147.954
Base-Backbone interact. energy: -0.117
local terms energy: -159.448505
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -448.706461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.706461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.706461 (E_RNA)
where:
Base-Base interactions energy: -291.926
where: short stacking energy: -131.584
Base-Backbone interact. energy: -0.533
local terms energy: -156.247645
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -43.259
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -422.612475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.612475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.612475 (E_RNA)
where:
Base-Base interactions energy: -293.296
where: short stacking energy: -123.101
Base-Backbone interact. energy: -0.720
local terms energy: -128.595883
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -359.743059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.743059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.743059 (E_RNA)
where:
Base-Base interactions energy: -230.132
where: short stacking energy: -108.703
Base-Backbone interact. energy: -0.392
local terms energy: -129.218989
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -27.929
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -254.178122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.178122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.178122 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -79.217
Base-Backbone interact. energy: -1.035
local terms energy: -109.992737
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -18.774
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: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -135.899482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.899482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.899482 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.176
local terms energy: -92.070850
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: 3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -161.438704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.438704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.438704 (E_RNA)
where:
Base-Base interactions energy: -64.099
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.475
local terms energy: -96.864120
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -6.318
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -528.434149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.434149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.434149 (E_RNA)
where:
Base-Base interactions energy: -357.655
where: short stacking energy: -157.420
Base-Backbone interact. energy: -0.339
local terms energy: -170.440531
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -49.491
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: 271
Temperature: 0.950000
Total energy: -515.275789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.275789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.275789 (E_RNA)
where:
Base-Base interactions energy: -349.861
where: short stacking energy: -153.302
Base-Backbone interact. energy: -0.216
local terms energy: -165.199097
where:
bonds (distance) C4'-P energy: -25.796
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -48.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -519.467790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.467790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.467790 (E_RNA)
where:
Base-Base interactions energy: -347.068
where: short stacking energy: -148.297
Base-Backbone interact. energy: -0.154
local terms energy: -172.246007
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -45.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -508.826421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.826421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.826421 (E_RNA)
where:
Base-Base interactions energy: -350.998
where: short stacking energy: -147.967
Base-Backbone interact. energy: 0.691
local terms energy: -158.520033
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -36.240
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -422.064420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.064420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.064420 (E_RNA)
where:
Base-Base interactions energy: -272.757
where: short stacking energy: -128.604
Base-Backbone interact. energy: -0.306
local terms energy: -149.001076
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -31.490
flat angles C4'-P-C4' energy: -34.438
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -41.594
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -420.621855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.621855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.621855 (E_RNA)
where:
Base-Base interactions energy: -284.568
where: short stacking energy: -100.329
Base-Backbone interact. energy: -0.664
local terms energy: -135.389648
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -354.421712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.421712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.421712 (E_RNA)
where:
Base-Base interactions energy: -227.153
where: short stacking energy: -97.807
Base-Backbone interact. energy: -0.560
local terms energy: -126.708391
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -25.551
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -255.025851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.025851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.025851 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -69.102
Base-Backbone interact. energy: 1.360
local terms energy: -104.023134
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -135.099292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.099292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.099292 (E_RNA)
where:
Base-Base interactions energy: -49.191
where: short stacking energy: -37.479
Base-Backbone interact. energy: -1.250
local terms energy: -84.658778
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -136.884377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.884377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.884377 (E_RNA)
where:
Base-Base interactions energy: -46.545
where: short stacking energy: -45.377
Base-Backbone interact. energy: -0.045
local terms energy: -90.294281
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -524.895169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.895169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.895169 (E_RNA)
where:
Base-Base interactions energy: -357.798
where: short stacking energy: -146.068
Base-Backbone interact. energy: -0.132
local terms energy: -166.965213
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -45.816
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -521.474488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.474488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.474488 (E_RNA)
where:
Base-Base interactions energy: -348.599
where: short stacking energy: -140.772
Base-Backbone interact. energy: -0.717
local terms energy: -172.158639
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -44.048
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: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -514.140600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.140600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.140600 (E_RNA)
where:
Base-Base interactions energy: -346.094
where: short stacking energy: -150.360
Base-Backbone interact. energy: -0.008
local terms energy: -168.038852
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -487.340036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.340036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.340036 (E_RNA)
where:
Base-Base interactions energy: -338.039
where: short stacking energy: -137.771
Base-Backbone interact. energy: -0.787
local terms energy: -148.514343
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -23.135
tors. eta vs tors. theta energy: -43.886
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: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -433.533594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.533594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.533594 (E_RNA)
where:
Base-Base interactions energy: -280.626
where: short stacking energy: -133.734
Base-Backbone interact. energy: -0.071
local terms energy: -152.836110
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -41.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -400.663093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.663093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.663093 (E_RNA)
where:
Base-Base interactions energy: -262.796
where: short stacking energy: -107.804
Base-Backbone interact. energy: 0.579
local terms energy: -138.446946
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -29.909
flat angles P-C4'-P energy: -22.892
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: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -275.367948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.367948 (E_RNA)
where:
Base-Base interactions energy: -161.560
where: short stacking energy: -73.255
Base-Backbone interact. energy: 0.419
local terms energy: -114.227059
where:
bonds (distance) C4'-P energy: -28.996
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -16.710
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -342.671715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.671715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.671715 (E_RNA)
where:
Base-Base interactions energy: -214.833
where: short stacking energy: -98.513
Base-Backbone interact. energy: -0.226
local terms energy: -127.612895
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -176.034599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.034599 (E_RNA)
where:
Base-Base interactions energy: -81.959
where: short stacking energy: -53.850
Base-Backbone interact. energy: 0.244
local terms energy: -94.320283
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -28.023
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -134.713731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.713731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.713731 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -41.038
Base-Backbone interact. energy: 0.604
local terms energy: -90.941508
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -29.804
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -526.000976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.000976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.000976 (E_RNA)
where:
Base-Base interactions energy: -358.328
where: short stacking energy: -160.557
Base-Backbone interact. energy: -0.106
local terms energy: -167.567439
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -50.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -519.994284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.994284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.994284 (E_RNA)
where:
Base-Base interactions energy: -351.157
where: short stacking energy: -163.135
Base-Backbone interact. energy: -0.713
local terms energy: -168.124467
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -48.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -520.150453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.150453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.150453 (E_RNA)
where:
Base-Base interactions energy: -351.871
where: short stacking energy: -152.483
Base-Backbone interact. energy: -0.464
local terms energy: -167.815252
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -49.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -502.023320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.023320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.023320 (E_RNA)
where:
Base-Base interactions energy: -347.017
where: short stacking energy: -132.770
Base-Backbone interact. energy: -0.560
local terms energy: -154.446291
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -39.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -425.067562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.067562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.067562 (E_RNA)
where:
Base-Base interactions energy: -285.558
where: short stacking energy: -135.581
Base-Backbone interact. energy: -0.295
local terms energy: -139.214639
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -38.022
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -414.256661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.256661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.256661 (E_RNA)
where:
Base-Base interactions energy: -276.396
where: short stacking energy: -120.151
Base-Backbone interact. energy: -0.153
local terms energy: -137.707541
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -36.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -295.104285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.104285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.104285 (E_RNA)
where:
Base-Base interactions energy: -190.128
where: short stacking energy: -87.008
Base-Backbone interact. energy: 2.595
local terms energy: -107.571154
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -361.740041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.740041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.740041 (E_RNA)
where:
Base-Base interactions energy: -244.888
where: short stacking energy: -118.429
Base-Backbone interact. energy: -0.827
local terms energy: -116.025538
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -36.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -148.242284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.242284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.242284 (E_RNA)
where:
Base-Base interactions energy: -61.392
where: short stacking energy: -39.902
Base-Backbone interact. energy: -1.225
local terms energy: -85.625414
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -137.415151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.415151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.415151 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.316
local terms energy: -83.469524
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -526.062261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.062261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.062261 (E_RNA)
where:
Base-Base interactions energy: -356.871
where: short stacking energy: -150.335
Base-Backbone interact. energy: -1.551
local terms energy: -167.640664
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -44.349
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -524.068303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.068303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.068303 (E_RNA)
where:
Base-Base interactions energy: -358.540
where: short stacking energy: -148.855
Base-Backbone interact. energy: -1.247
local terms energy: -164.281344
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -50.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -528.636854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.636854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.636854 (E_RNA)
where:
Base-Base interactions energy: -358.734
where: short stacking energy: -155.980
Base-Backbone interact. energy: -0.877
local terms energy: -169.025501
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -47.129
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: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -498.801680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.801680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.801680 (E_RNA)
where:
Base-Base interactions energy: -349.996
where: short stacking energy: -138.331
Base-Backbone interact. energy: -0.098
local terms energy: -148.707570
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -40.052
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: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -399.175035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.175035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.175035 (E_RNA)
where:
Base-Base interactions energy: -252.050
where: short stacking energy: -101.568
Base-Backbone interact. energy: -1.193
local terms energy: -145.932581
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -28.281
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -396.308902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.308902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.308902 (E_RNA)
where:
Base-Base interactions energy: -256.698
where: short stacking energy: -110.150
Base-Backbone interact. energy: -0.302
local terms energy: -139.308617
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -28.089
flat angles P-C4'-P energy: -22.444
tors. eta vs tors. theta energy: -31.649
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -353.412689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.412689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.412689 (E_RNA)
where:
Base-Base interactions energy: -215.648
where: short stacking energy: -97.856
Base-Backbone interact. energy: 0.997
local terms energy: -138.762060
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -30.140
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: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -293.294215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.294215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.294215 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -78.642
Base-Backbone interact. energy: -1.223
local terms energy: -117.725608
where:
bonds (distance) C4'-P energy: -24.703
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -24.999
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: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -137.246962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.246962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.246962 (E_RNA)
where:
Base-Base interactions energy: -53.605
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.212
local terms energy: -83.429840
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -149.102068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.102068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.102068 (E_RNA)
where:
Base-Base interactions energy: -62.035
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.383
local terms energy: -86.684634
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -526.187170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.187170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.187170 (E_RNA)
where:
Base-Base interactions energy: -349.599
where: short stacking energy: -155.680
Base-Backbone interact. energy: -0.038
local terms energy: -176.550051
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -45.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -536.289941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.289941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.289941 (E_RNA)
where:
Base-Base interactions energy: -365.166
where: short stacking energy: -145.196
Base-Backbone interact. energy: -1.016
local terms energy: -170.108859
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -50.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -520.017506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.017506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.017506 (E_RNA)
where:
Base-Base interactions energy: -352.993
where: short stacking energy: -154.941
Base-Backbone interact. energy: 1.027
local terms energy: -168.051443
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -35.371
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -47.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -408.796708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.796708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.796708 (E_RNA)
where:
Base-Base interactions energy: -264.316
where: short stacking energy: -119.091
Base-Backbone interact. energy: -0.677
local terms energy: -143.804057
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -38.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -488.454046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.454046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.454046 (E_RNA)
where:
Base-Base interactions energy: -332.433
where: short stacking energy: -135.026
Base-Backbone interact. energy: -0.095
local terms energy: -155.925917
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -42.999
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: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -414.649573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.649573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.649573 (E_RNA)
where:
Base-Base interactions energy: -274.599
where: short stacking energy: -144.356
Base-Backbone interact. energy: -0.161
local terms energy: -139.889445
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -29.439
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -38.561
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: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -397.533105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.533105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.533105 (E_RNA)
where:
Base-Base interactions energy: -261.641
where: short stacking energy: -112.465
Base-Backbone interact. energy: -0.349
local terms energy: -135.543543
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -33.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -289.170808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.170808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.170808 (E_RNA)
where:
Base-Base interactions energy: -173.846
where: short stacking energy: -79.340
Base-Backbone interact. energy: 0.879
local terms energy: -116.203300
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -138.524826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.524826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.524826 (E_RNA)
where:
Base-Base interactions energy: -49.898
where: short stacking energy: -44.682
Base-Backbone interact. energy: -0.006
local terms energy: -88.620412
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -134.392212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.392212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.392212 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.510
local terms energy: -84.393494
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -524.053991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.053991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.053991 (E_RNA)
where:
Base-Base interactions energy: -348.650
where: short stacking energy: -159.665
Base-Backbone interact. energy: -0.118
local terms energy: -175.286279
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -37.595
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -49.070
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: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -523.365891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.365891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.365891 (E_RNA)
where:
Base-Base interactions energy: -364.105
where: short stacking energy: -163.182
Base-Backbone interact. energy: -0.381
local terms energy: -158.879913
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -514.818158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.818158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.818158 (E_RNA)
where:
Base-Base interactions energy: -349.756
where: short stacking energy: -143.219
Base-Backbone interact. energy: -0.087
local terms energy: -164.974693
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -428.669469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.669469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.669469 (E_RNA)
where:
Base-Base interactions energy: -282.666
where: short stacking energy: -123.072
Base-Backbone interact. energy: 0.740
local terms energy: -146.743689
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -40.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -496.737881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.737881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.737881 (E_RNA)
where:
Base-Base interactions energy: -343.087
where: short stacking energy: -148.226
Base-Backbone interact. energy: -1.078
local terms energy: -152.572396
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -44.448
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: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -397.947895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.947895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.947895 (E_RNA)
where:
Base-Base interactions energy: -262.123
where: short stacking energy: -115.537
Base-Backbone interact. energy: -0.194
local terms energy: -135.631362
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -421.998212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.998212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.998212 (E_RNA)
where:
Base-Base interactions energy: -292.154
where: short stacking energy: -133.016
Base-Backbone interact. energy: -0.365
local terms energy: -129.479041
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -289.391731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.391731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.391731 (E_RNA)
where:
Base-Base interactions energy: -170.326
where: short stacking energy: -78.575
Base-Backbone interact. energy: -0.718
local terms energy: -118.347429
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -151.291113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.291113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.291113 (E_RNA)
where:
Base-Base interactions energy: -70.810
where: short stacking energy: -43.126
Base-Backbone interact. energy: 0.100
local terms energy: -80.581128
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -133.349638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.349638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.349638 (E_RNA)
where:
Base-Base interactions energy: -44.462
where: short stacking energy: -43.058
Base-Backbone interact. energy: -0.349
local terms energy: -88.539176
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -525.942750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.942750 (E_RNA)
where:
Base-Base interactions energy: -354.628
where: short stacking energy: -153.179
Base-Backbone interact. energy: -0.945
local terms energy: -170.370508
where:
bonds (distance) C4'-P energy: -32.464
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -48.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -539.393742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.393742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.393742 (E_RNA)
where:
Base-Base interactions energy: -372.553
where: short stacking energy: -148.507
Base-Backbone interact. energy: -0.754
local terms energy: -166.086437
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -44.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -520.006021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.006021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.006021 (E_RNA)
where:
Base-Base interactions energy: -360.310
where: short stacking energy: -158.321
Base-Backbone interact. energy: -0.285
local terms energy: -159.410822
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -30.558
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -47.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -493.668046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.668046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.668046 (E_RNA)
where:
Base-Base interactions energy: -335.997
where: short stacking energy: -131.654
Base-Backbone interact. energy: -0.770
local terms energy: -156.901785
where:
bonds (distance) C4'-P energy: -34.435
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: -40.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -435.862915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.862915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.862915 (E_RNA)
where:
Base-Base interactions energy: -284.349
where: short stacking energy: -130.846
Base-Backbone interact. energy: -0.947
local terms energy: -150.566254
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -29.628
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -41.662
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: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -424.125787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.125787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.125787 (E_RNA)
where:
Base-Base interactions energy: -281.375
where: short stacking energy: -124.493
Base-Backbone interact. energy: -1.205
local terms energy: -141.546087
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -33.865
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -33.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -353.326980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.326980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.326980 (E_RNA)
where:
Base-Base interactions energy: -228.287
where: short stacking energy: -101.028
Base-Backbone interact. energy: 0.080
local terms energy: -125.120281
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -24.712
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -30.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -295.997551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.997551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.997551 (E_RNA)
where:
Base-Base interactions energy: -175.148
where: short stacking energy: -80.415
Base-Backbone interact. energy: -0.577
local terms energy: -120.272641
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -201.965567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.965567 (E_RNA)
where:
Base-Base interactions energy: -94.932
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.226
local terms energy: -106.807148
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -138.191379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.191379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.191379 (E_RNA)
where:
Base-Base interactions energy: -53.977
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.604
local terms energy: -83.611190
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -540.367538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.367538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.367538 (E_RNA)
where:
Base-Base interactions energy: -365.810
where: short stacking energy: -152.765
Base-Backbone interact. energy: -1.206
local terms energy: -173.351035
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -38.729
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -521.277250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.277250 (E_RNA)
where:
Base-Base interactions energy: -341.908
where: short stacking energy: -151.346
Base-Backbone interact. energy: -2.902
local terms energy: -176.467785
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -47.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -509.063202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.063202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.063202 (E_RNA)
where:
Base-Base interactions energy: -348.517
where: short stacking energy: -140.817
Base-Backbone interact. energy: -1.239
local terms energy: -159.306938
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -35.464
flat angles P-C4'-P energy: -27.015
tors. eta vs tors. theta energy: -41.215
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: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -498.906610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.906610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.906610 (E_RNA)
where:
Base-Base interactions energy: -344.536
where: short stacking energy: -146.607
Base-Backbone interact. energy: -0.283
local terms energy: -154.087807
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -45.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -467.679375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.679375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.679375 (E_RNA)
where:
Base-Base interactions energy: -321.187
where: short stacking energy: -148.948
Base-Backbone interact. energy: -0.321
local terms energy: -146.171638
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -46.143
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: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -439.466514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.466514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.466514 (E_RNA)
where:
Base-Base interactions energy: -296.723
where: short stacking energy: -116.860
Base-Backbone interact. energy: 2.405
local terms energy: -145.148524
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -26.467
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -299.404402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.404402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.404402 (E_RNA)
where:
Base-Base interactions energy: -165.631
where: short stacking energy: -79.169
Base-Backbone interact. energy: 1.025
local terms energy: -134.798250
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -17.006
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -311.164429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.164429 (E_RNA)
where:
Base-Base interactions energy: -186.901
where: short stacking energy: -86.275
Base-Backbone interact. energy: -0.444
local terms energy: -123.819524
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -150.478326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.478326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.478326 (E_RNA)
where:
Base-Base interactions energy: -66.191
where: short stacking energy: -35.280
Base-Backbone interact. energy: -0.880
local terms energy: -83.407427
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -17.449
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: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -145.604625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.604625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.604625 (E_RNA)
where:
Base-Base interactions energy: -70.504
where: short stacking energy: -50.435
Base-Backbone interact. energy: -0.365
local terms energy: -74.735033
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -527.703791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.703791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.703791 (E_RNA)
where:
Base-Base interactions energy: -365.839
where: short stacking energy: -143.453
Base-Backbone interact. energy: -0.665
local terms energy: -161.199898
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -34.065
flat angles C4'-P-C4' energy: -36.359
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -41.965
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -525.891039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.891039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.891039 (E_RNA)
where:
Base-Base interactions energy: -351.885
where: short stacking energy: -157.953
Base-Backbone interact. energy: -0.181
local terms energy: -173.825003
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -38.088
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -53.771
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: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -510.388344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.388344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.388344 (E_RNA)
where:
Base-Base interactions energy: -340.692
where: short stacking energy: -150.922
Base-Backbone interact. energy: 0.240
local terms energy: -169.936940
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -509.297456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.297456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.297456 (E_RNA)
where:
Base-Base interactions energy: -342.993
where: short stacking energy: -145.436
Base-Backbone interact. energy: -0.772
local terms energy: -165.532684
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -30.405
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -47.822
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -462.204673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.204673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.204673 (E_RNA)
where:
Base-Base interactions energy: -310.652
where: short stacking energy: -132.044
Base-Backbone interact. energy: -0.207
local terms energy: -151.346218
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -44.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -420.738981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.738981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.738981 (E_RNA)
where:
Base-Base interactions energy: -282.694
where: short stacking energy: -128.952
Base-Backbone interact. energy: -0.211
local terms energy: -137.834370
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -33.780
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: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -327.194792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.194792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.194792 (E_RNA)
where:
Base-Base interactions energy: -203.294
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.290
local terms energy: -123.610914
where:
bonds (distance) C4'-P energy: -30.010
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -291.721244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.721244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.721244 (E_RNA)
where:
Base-Base interactions energy: -176.082
where: short stacking energy: -83.868
Base-Backbone interact. energy: 0.350
local terms energy: -115.989243
where:
bonds (distance) C4'-P energy: -27.677
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -20.569
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -158.221213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.221213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.221213 (E_RNA)
where:
Base-Base interactions energy: -61.194
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.681
local terms energy: -96.346233
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -161.420094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.420094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.420094 (E_RNA)
where:
Base-Base interactions energy: -75.342
where: short stacking energy: -61.306
Base-Backbone interact. energy: 1.211
local terms energy: -87.289527
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -535.259089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.259089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.259089 (E_RNA)
where:
Base-Base interactions energy: -365.647
where: short stacking energy: -160.629
Base-Backbone interact. energy: 0.137
local terms energy: -169.749322
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -53.057
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: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -517.204750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.204750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.204750 (E_RNA)
where:
Base-Base interactions energy: -344.841
where: short stacking energy: -143.157
Base-Backbone interact. energy: -0.469
local terms energy: -171.895267
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -28.826
tors. eta vs tors. theta energy: -47.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -511.301576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.301576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.301576 (E_RNA)
where:
Base-Base interactions energy: -364.397
where: short stacking energy: -157.693
Base-Backbone interact. energy: 1.982
local terms energy: -148.886673
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -47.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -505.085261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.085261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.085261 (E_RNA)
where:
Base-Base interactions energy: -353.988
where: short stacking energy: -136.456
Base-Backbone interact. energy: -0.777
local terms energy: -150.320295
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -43.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -424.138080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.138080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.138080 (E_RNA)
where:
Base-Base interactions energy: -288.164
where: short stacking energy: -124.616
Base-Backbone interact. energy: -0.710
local terms energy: -135.263151
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -31.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -415.369608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.369608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.369608 (E_RNA)
where:
Base-Base interactions energy: -269.478
where: short stacking energy: -120.703
Base-Backbone interact. energy: -0.198
local terms energy: -145.692867
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -37.792
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -309.049782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.049782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.049782 (E_RNA)
where:
Base-Base interactions energy: -182.187
where: short stacking energy: -95.612
Base-Backbone interact. energy: -1.485
local terms energy: -125.377552
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -16.884
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: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -305.545791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.545791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.545791 (E_RNA)
where:
Base-Base interactions energy: -198.368
where: short stacking energy: -85.655
Base-Backbone interact. energy: -0.497
local terms energy: -106.680593
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -151.920904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.920904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.920904 (E_RNA)
where:
Base-Base interactions energy: -66.353
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.218
local terms energy: -85.350081
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: 1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -142.653779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.653779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.653779 (E_RNA)
where:
Base-Base interactions energy: -46.062
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.243
local terms energy: -96.348561
where:
bonds (distance) C4'-P energy: -32.440
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: 6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -540.831001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.831001 (E_RNA)
where:
Base-Base interactions energy: -362.721
where: short stacking energy: -153.191
Base-Backbone interact. energy: -0.622
local terms energy: -177.487887
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -52.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -510.150139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.150139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.150139 (E_RNA)
where:
Base-Base interactions energy: -340.057
where: short stacking energy: -148.058
Base-Backbone interact. energy: -0.250
local terms energy: -169.842515
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -47.667
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -519.131602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.131602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.131602 (E_RNA)
where:
Base-Base interactions energy: -353.694
where: short stacking energy: -145.749
Base-Backbone interact. energy: -0.354
local terms energy: -165.083705
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -42.952
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: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -498.516517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.516517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.516517 (E_RNA)
where:
Base-Base interactions energy: -349.277
where: short stacking energy: -136.784
Base-Backbone interact. energy: -0.203
local terms energy: -149.036225
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -40.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -408.827535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.827535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.827535 (E_RNA)
where:
Base-Base interactions energy: -278.274
where: short stacking energy: -113.472
Base-Backbone interact. energy: -0.536
local terms energy: -130.017232
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -14.642
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: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -427.623715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.623715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.623715 (E_RNA)
where:
Base-Base interactions energy: -282.158
where: short stacking energy: -129.179
Base-Backbone interact. energy: -0.078
local terms energy: -145.387354
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -44.779
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -310.220640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.220640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.220640 (E_RNA)
where:
Base-Base interactions energy: -187.045
where: short stacking energy: -91.434
Base-Backbone interact. energy: -0.603
local terms energy: -122.573029
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -248.304378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.304378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.304378 (E_RNA)
where:
Base-Base interactions energy: -141.990
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.373
local terms energy: -105.941149
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -167.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.032886 (E_RNA)
where:
Base-Base interactions energy: -72.384
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.521
local terms energy: -94.128088
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -1.609
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -145.320364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.320364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.320364 (E_RNA)
where:
Base-Base interactions energy: -48.097
where: short stacking energy: -43.144
Base-Backbone interact. energy: 0.715
local terms energy: -97.938650
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -26.177
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -532.086530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.086530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.086530 (E_RNA)
where:
Base-Base interactions energy: -362.438
where: short stacking energy: -154.822
Base-Backbone interact. energy: -0.806
local terms energy: -168.841936
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -535.684652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.684652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.684652 (E_RNA)
where:
Base-Base interactions energy: -373.814
where: short stacking energy: -159.000
Base-Backbone interact. energy: -0.300
local terms energy: -161.570560
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -507.835054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.835054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.835054 (E_RNA)
where:
Base-Base interactions energy: -346.443
where: short stacking energy: -145.268
Base-Backbone interact. energy: -0.198
local terms energy: -161.194270
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -501.022007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.022007 (E_RNA)
where:
Base-Base interactions energy: -330.462
where: short stacking energy: -142.157
Base-Backbone interact. energy: -0.183
local terms energy: -170.377282
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -454.092482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.092482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.092482 (E_RNA)
where:
Base-Base interactions energy: -303.454
where: short stacking energy: -136.247
Base-Backbone interact. energy: -0.590
local terms energy: -150.048173
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -396.107007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.107007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.107007 (E_RNA)
where:
Base-Base interactions energy: -272.822
where: short stacking energy: -117.757
Base-Backbone interact. energy: -0.458
local terms energy: -122.827258
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -31.713
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -302.957158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.957158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.957158 (E_RNA)
where:
Base-Base interactions energy: -175.314
where: short stacking energy: -95.335
Base-Backbone interact. energy: 0.712
local terms energy: -128.355336
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -22.145
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: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -244.691600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.691600 (E_RNA)
where:
Base-Base interactions energy: -140.166
where: short stacking energy: -76.897
Base-Backbone interact. energy: -0.768
local terms energy: -103.757316
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -150.936439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.936439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.936439 (E_RNA)
where:
Base-Base interactions energy: -55.184
where: short stacking energy: -49.115
Base-Backbone interact. energy: 1.120
local terms energy: -96.872795
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -140.567479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.567479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.567479 (E_RNA)
where:
Base-Base interactions energy: -52.709
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.214
local terms energy: -87.644237
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -535.416987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.416987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.416987 (E_RNA)
where:
Base-Base interactions energy: -363.341
where: short stacking energy: -151.139
Base-Backbone interact. energy: -0.379
local terms energy: -171.696859
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -46.466
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: 283
Temperature: 0.950000
Total energy: -523.162774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.162774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.162774 (E_RNA)
where:
Base-Base interactions energy: -346.848
where: short stacking energy: -153.034
Base-Backbone interact. energy: -0.079
local terms energy: -176.236136
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -50.507
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: 283
Temperature: 1.000000
Total energy: -513.875672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.875672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.875672 (E_RNA)
where:
Base-Base interactions energy: -349.567
where: short stacking energy: -149.214
Base-Backbone interact. energy: -0.710
local terms energy: -163.598528
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -47.693
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -495.032870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.032870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.032870 (E_RNA)
where:
Base-Base interactions energy: -347.640
where: short stacking energy: -146.901
Base-Backbone interact. energy: -0.945
local terms energy: -146.447882
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -444.193946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.193946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.193946 (E_RNA)
where:
Base-Base interactions energy: -288.920
where: short stacking energy: -120.722
Base-Backbone interact. energy: -0.115
local terms energy: -155.158334
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -316.570680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.570680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.570680 (E_RNA)
where:
Base-Base interactions energy: -192.482
where: short stacking energy: -106.810
Base-Backbone interact. energy: -0.122
local terms energy: -123.966884
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -387.524068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.524068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.524068 (E_RNA)
where:
Base-Base interactions energy: -256.641
where: short stacking energy: -121.235
Base-Backbone interact. energy: -0.073
local terms energy: -130.810441
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -227.974594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.974594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.974594 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -62.884
Base-Backbone interact. energy: 2.695
local terms energy: -97.015295
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -7.360
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: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -147.624966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.624966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.624966 (E_RNA)
where:
Base-Base interactions energy: -56.862
where: short stacking energy: -38.698
Base-Backbone interact. energy: 0.330
local terms energy: -91.093422
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -141.318665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.318665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.318665 (E_RNA)
where:
Base-Base interactions energy: -52.006
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.475
local terms energy: -88.837707
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -533.376294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.376294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.376294 (E_RNA)
where:
Base-Base interactions energy: -361.285
where: short stacking energy: -155.872
Base-Backbone interact. energy: 0.360
local terms energy: -172.451188
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -44.119
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: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -515.994103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.994103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.994103 (E_RNA)
where:
Base-Base interactions energy: -354.445
where: short stacking energy: -150.055
Base-Backbone interact. energy: -0.353
local terms energy: -161.196866
where:
bonds (distance) C4'-P energy: -34.365
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -45.612
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -511.396741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.396741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.396741 (E_RNA)
where:
Base-Base interactions energy: -351.251
where: short stacking energy: -134.498
Base-Backbone interact. energy: 1.519
local terms energy: -161.664687
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -39.001
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: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -505.136455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.136455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.136455 (E_RNA)
where:
Base-Base interactions energy: -346.696
where: short stacking energy: -144.167
Base-Backbone interact. energy: -0.156
local terms energy: -158.284047
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -457.760893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.760893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.760893 (E_RNA)
where:
Base-Base interactions energy: -306.091
where: short stacking energy: -134.822
Base-Backbone interact. energy: -0.429
local terms energy: -151.240964
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -43.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -319.982103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.982103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.982103 (E_RNA)
where:
Base-Base interactions energy: -192.683
where: short stacking energy: -95.216
Base-Backbone interact. energy: -1.227
local terms energy: -126.072253
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -400.236532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.236532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.236532 (E_RNA)
where:
Base-Base interactions energy: -275.704
where: short stacking energy: -108.757
Base-Backbone interact. energy: -0.232
local terms energy: -124.300109
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -28.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -226.183614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.183614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.183614 (E_RNA)
where:
Base-Base interactions energy: -115.635
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.582
local terms energy: -109.966293
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -14.609
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -186.800265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.800265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.800265 (E_RNA)
where:
Base-Base interactions energy: -91.878
where: short stacking energy: -45.428
Base-Backbone interact. energy: 0.801
local terms energy: -95.723493
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -1.442
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: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -142.737602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.737602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.737602 (E_RNA)
where:
Base-Base interactions energy: -52.136
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.879
local terms energy: -89.721969
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -520.371686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.371686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.371686 (E_RNA)
where:
Base-Base interactions energy: -350.579
where: short stacking energy: -147.744
Base-Backbone interact. energy: -0.564
local terms energy: -169.229109
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -38.711
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -45.417
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -517.450079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.450079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.450079 (E_RNA)
where:
Base-Base interactions energy: -359.688
where: short stacking energy: -145.092
Base-Backbone interact. energy: -0.224
local terms energy: -157.538169
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -41.081
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: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -520.262640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.262640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.262640 (E_RNA)
where:
Base-Base interactions energy: -358.124
where: short stacking energy: -146.645
Base-Backbone interact. energy: -0.520
local terms energy: -161.618807
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -455.042412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.042412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.042412 (E_RNA)
where:
Base-Base interactions energy: -298.534
where: short stacking energy: -131.928
Base-Backbone interact. energy: -0.389
local terms energy: -156.119174
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -33.521
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -43.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -470.157413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.157413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.157413 (E_RNA)
where:
Base-Base interactions energy: -321.899
where: short stacking energy: -119.605
Base-Backbone interact. energy: -0.291
local terms energy: -147.966913
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -39.768
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: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -422.886539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.886539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.886539 (E_RNA)
where:
Base-Base interactions energy: -286.320
where: short stacking energy: -115.748
Base-Backbone interact. energy: -0.861
local terms energy: -135.705704
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -28.636
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -319.516955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.516955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.516955 (E_RNA)
where:
Base-Base interactions energy: -186.159
where: short stacking energy: -94.170
Base-Backbone interact. energy: 0.325
local terms energy: -133.682173
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -33.131
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -273.544217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.544217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.544217 (E_RNA)
where:
Base-Base interactions energy: -159.846
where: short stacking energy: -58.767
Base-Backbone interact. energy: -0.723
local terms energy: -112.975494
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -11.106
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: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -175.433721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.433721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.433721 (E_RNA)
where:
Base-Base interactions energy: -74.071
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.517
local terms energy: -100.845708
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -137.236849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.236849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.236849 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -41.636
Base-Backbone interact. energy: 1.103
local terms energy: -87.513940
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -2.693
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: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -533.291271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.291271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.291271 (E_RNA)
where:
Base-Base interactions energy: -366.484
where: short stacking energy: -149.549
Base-Backbone interact. energy: -0.248
local terms energy: -166.558804
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -25.185
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -525.752739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.752739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.752739 (E_RNA)
where:
Base-Base interactions energy: -359.053
where: short stacking energy: -158.191
Base-Backbone interact. energy: -0.637
local terms energy: -166.062432
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -46.578
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: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -523.811297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.811297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.811297 (E_RNA)
where:
Base-Base interactions energy: -368.892
where: short stacking energy: -157.635
Base-Backbone interact. energy: -0.409
local terms energy: -154.510604
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -47.294
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: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -443.569015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.569015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.569015 (E_RNA)
where:
Base-Base interactions energy: -297.223
where: short stacking energy: -130.881
Base-Backbone interact. energy: -1.654
local terms energy: -144.692286
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -35.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -479.993577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.993577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.993577 (E_RNA)
where:
Base-Base interactions energy: -322.865
where: short stacking energy: -131.715
Base-Backbone interact. energy: 1.189
local terms energy: -158.316953
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -39.337
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -419.364595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.364595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.364595 (E_RNA)
where:
Base-Base interactions energy: -296.865
where: short stacking energy: -130.081
Base-Backbone interact. energy: -0.151
local terms energy: -122.348295
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -31.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -327.092930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.092930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.092930 (E_RNA)
where:
Base-Base interactions energy: -199.090
where: short stacking energy: -90.583
Base-Backbone interact. energy: -0.690
local terms energy: -127.312339
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -23.401
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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -319.167807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.167807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.167807 (E_RNA)
where:
Base-Base interactions energy: -193.750
where: short stacking energy: -101.007
Base-Backbone interact. energy: -0.302
local terms energy: -125.116037
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -28.627
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -167.221651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.221651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.221651 (E_RNA)
where:
Base-Base interactions energy: -82.402
where: short stacking energy: -46.056
Base-Backbone interact. energy: 0.784
local terms energy: -85.603605
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -146.793088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.793088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.793088 (E_RNA)
where:
Base-Base interactions energy: -58.490
where: short stacking energy: -42.852
Base-Backbone interact. energy: -1.225
local terms energy: -87.077944
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -11.858
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: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -542.088272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.088272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.088272 (E_RNA)
where:
Base-Base interactions energy: -372.685
where: short stacking energy: -164.469
Base-Backbone interact. energy: -0.985
local terms energy: -168.418316
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -30.506
flat angles C4'-P-C4' energy: -35.961
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -49.428
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: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -526.677214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.677214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.677214 (E_RNA)
where:
Base-Base interactions energy: -363.378
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.282
local terms energy: -163.017269
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -47.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -510.926017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.926017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.926017 (E_RNA)
where:
Base-Base interactions energy: -338.866
where: short stacking energy: -152.875
Base-Backbone interact. energy: -0.824
local terms energy: -171.235722
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -51.249
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -486.258395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.258395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.258395 (E_RNA)
where:
Base-Base interactions energy: -344.604
where: short stacking energy: -142.744
Base-Backbone interact. energy: 1.283
local terms energy: -142.937994
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -44.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -440.824554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.824554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.824554 (E_RNA)
where:
Base-Base interactions energy: -292.522
where: short stacking energy: -129.795
Base-Backbone interact. energy: -0.558
local terms energy: -147.744785
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -392.111957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.111957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.111957 (E_RNA)
where:
Base-Base interactions energy: -248.821
where: short stacking energy: -107.171
Base-Backbone interact. energy: -0.957
local terms energy: -142.333536
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -311.274664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.274664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.274664 (E_RNA)
where:
Base-Base interactions energy: -193.558
where: short stacking energy: -87.962
Base-Backbone interact. energy: -0.419
local terms energy: -117.297286
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -336.435033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.435033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.435033 (E_RNA)
where:
Base-Base interactions energy: -215.723
where: short stacking energy: -96.114
Base-Backbone interact. energy: 1.460
local terms energy: -122.171846
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -184.656453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.656453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.656453 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -38.243
Base-Backbone interact. energy: 1.858
local terms energy: -91.025955
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -145.587817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.587817 (E_RNA)
where:
Base-Base interactions energy: -63.127
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.724
local terms energy: -81.736864
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -529.901981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.901981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.901981 (E_RNA)
where:
Base-Base interactions energy: -362.539
where: short stacking energy: -162.163
Base-Backbone interact. energy: -0.094
local terms energy: -167.268486
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -50.858
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: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -528.030817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.030817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.030817 (E_RNA)
where:
Base-Base interactions energy: -359.669
where: short stacking energy: -143.441
Base-Backbone interact. energy: -0.133
local terms energy: -168.229157
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -49.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -531.047678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.047678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.047678 (E_RNA)
where:
Base-Base interactions energy: -361.560
where: short stacking energy: -160.273
Base-Backbone interact. energy: -0.006
local terms energy: -169.481537
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -48.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -482.386154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.386154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.386154 (E_RNA)
where:
Base-Base interactions energy: -339.794
where: short stacking energy: -141.795
Base-Backbone interact. energy: 1.021
local terms energy: -143.613250
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -437.535671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.535671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.535671 (E_RNA)
where:
Base-Base interactions energy: -277.170
where: short stacking energy: -119.619
Base-Backbone interact. energy: -0.456
local terms energy: -159.909258
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -404.231862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.231862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.231862 (E_RNA)
where:
Base-Base interactions energy: -274.726
where: short stacking energy: -102.219
Base-Backbone interact. energy: -0.311
local terms energy: -129.193987
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -15.547
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: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -341.269800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.269800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.269800 (E_RNA)
where:
Base-Base interactions energy: -212.501
where: short stacking energy: -97.312
Base-Backbone interact. energy: -0.405
local terms energy: -128.363838
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -26.174
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -307.836723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.836723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.836723 (E_RNA)
where:
Base-Base interactions energy: -180.634
where: short stacking energy: -84.484
Base-Backbone interact. energy: -0.230
local terms energy: -126.972170
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -31.249
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -28.175
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: 288
Temperature: 1.300000
Total energy: -208.700336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700336 (E_RNA)
where:
Base-Base interactions energy: -112.826
where: short stacking energy: -66.623
Base-Backbone interact. energy: 0.131
local terms energy: -96.005469
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -128.522847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.522847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.522847 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.652
local terms energy: -94.089815
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: 3.478
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -525.585643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.585643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.585643 (E_RNA)
where:
Base-Base interactions energy: -357.871
where: short stacking energy: -157.297
Base-Backbone interact. energy: -0.240
local terms energy: -167.474411
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -43.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -535.557254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.557254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.557254 (E_RNA)
where:
Base-Base interactions energy: -363.324
where: short stacking energy: -160.905
Base-Backbone interact. energy: -0.029
local terms energy: -172.204195
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -53.920
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: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -524.867894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.867894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.867894 (E_RNA)
where:
Base-Base interactions energy: -364.085
where: short stacking energy: -144.972
Base-Backbone interact. energy: -0.305
local terms energy: -160.477190
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -487.461676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.461676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.461676 (E_RNA)
where:
Base-Base interactions energy: -322.954
where: short stacking energy: -131.559
Base-Backbone interact. energy: -1.539
local terms energy: -162.969215
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -42.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -444.179843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.179843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.179843 (E_RNA)
where:
Base-Base interactions energy: -292.851
where: short stacking energy: -134.545
Base-Backbone interact. energy: -1.004
local terms energy: -150.325224
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -426.860048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.860048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.860048 (E_RNA)
where:
Base-Base interactions energy: -273.241
where: short stacking energy: -126.263
Base-Backbone interact. energy: -0.589
local terms energy: -153.030158
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -42.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -356.091404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.091404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.091404 (E_RNA)
where:
Base-Base interactions energy: -218.954
where: short stacking energy: -106.904
Base-Backbone interact. energy: -0.958
local terms energy: -136.179304
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -331.865558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.865558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.865558 (E_RNA)
where:
Base-Base interactions energy: -209.490
where: short stacking energy: -104.380
Base-Backbone interact. energy: -0.149
local terms energy: -122.227404
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -198.245720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.245720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.245720 (E_RNA)
where:
Base-Base interactions energy: -119.075
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.595
local terms energy: -78.575518
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -12.911
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -138.725003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.725003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.725003 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -30.667
Base-Backbone interact. energy: 0.549
local terms energy: -101.541793
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: 2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -537.330045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.330045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.330045 (E_RNA)
where:
Base-Base interactions energy: -368.847
where: short stacking energy: -164.329
Base-Backbone interact. energy: -0.047
local terms energy: -168.435088
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -46.897
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: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -532.263746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.263746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.263746 (E_RNA)
where:
Base-Base interactions energy: -364.062
where: short stacking energy: -153.458
Base-Backbone interact. energy: 0.612
local terms energy: -168.814026
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -32.188
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -51.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -504.176355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.176355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.176355 (E_RNA)
where:
Base-Base interactions energy: -364.284
where: short stacking energy: -153.822
Base-Backbone interact. energy: -0.144
local terms energy: -139.748782
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -497.670945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.670945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.670945 (E_RNA)
where:
Base-Base interactions energy: -343.768
where: short stacking energy: -139.808
Base-Backbone interact. energy: -0.288
local terms energy: -153.614554
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -39.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -438.625410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.625410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.625410 (E_RNA)
where:
Base-Base interactions energy: -284.839
where: short stacking energy: -117.246
Base-Backbone interact. energy: -1.237
local terms energy: -152.549454
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -38.512
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: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -431.211374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.211374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.211374 (E_RNA)
where:
Base-Base interactions energy: -282.551
where: short stacking energy: -126.007
Base-Backbone interact. energy: -0.405
local terms energy: -148.255100
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -41.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -308.447488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.447488 (E_RNA)
where:
Base-Base interactions energy: -182.178
where: short stacking energy: -87.105
Base-Backbone interact. energy: -0.943
local terms energy: -125.326239
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -351.024203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.024203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.024203 (E_RNA)
where:
Base-Base interactions energy: -220.236
where: short stacking energy: -101.660
Base-Backbone interact. energy: -0.218
local terms energy: -130.570360
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -31.571
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: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -163.131136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.131136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.131136 (E_RNA)
where:
Base-Base interactions energy: -72.331
where: short stacking energy: -57.811
Base-Backbone interact. energy: -1.264
local terms energy: -89.536445
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -139.682202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.682202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.682202 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -27.666
Base-Backbone interact. energy: 0.787
local terms energy: -105.094807
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -19.768
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -538.645139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.645139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.645139 (E_RNA)
where:
Base-Base interactions energy: -367.116
where: short stacking energy: -166.324
Base-Backbone interact. energy: -0.011
local terms energy: -171.518438
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -48.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -535.310922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.310922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.310922 (E_RNA)
where:
Base-Base interactions energy: -372.218
where: short stacking energy: -153.133
Base-Backbone interact. energy: -0.364
local terms energy: -162.729579
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -45.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -507.757646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.757646 (E_RNA)
where:
Base-Base interactions energy: -339.052
where: short stacking energy: -143.383
Base-Backbone interact. energy: -0.054
local terms energy: -168.651441
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -46.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -505.107960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.107960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.107960 (E_RNA)
where:
Base-Base interactions energy: -343.228
where: short stacking energy: -145.627
Base-Backbone interact. energy: -0.237
local terms energy: -161.642886
where:
bonds (distance) C4'-P energy: -33.670
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -44.989
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -439.836811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.836811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.836811 (E_RNA)
where:
Base-Base interactions energy: -298.866
where: short stacking energy: -124.819
Base-Backbone interact. energy: -0.307
local terms energy: -140.662976
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -26.996
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -35.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -407.620857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.620857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.620857 (E_RNA)
where:
Base-Base interactions energy: -279.321
where: short stacking energy: -123.352
Base-Backbone interact. energy: -0.570
local terms energy: -127.730608
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -31.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -326.047785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.047785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.047785 (E_RNA)
where:
Base-Base interactions energy: -199.259
where: short stacking energy: -92.899
Base-Backbone interact. energy: -0.277
local terms energy: -126.511881
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -319.509160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.509160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.509160 (E_RNA)
where:
Base-Base interactions energy: -199.375
where: short stacking energy: -95.804
Base-Backbone interact. energy: -1.276
local terms energy: -118.858365
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -161.301460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.301460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.301460 (E_RNA)
where:
Base-Base interactions energy: -72.013
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.131
local terms energy: -89.157301
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -137.591758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.591758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.591758 (E_RNA)
where:
Base-Base interactions energy: -51.941
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.304
local terms energy: -85.346824
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: 4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -529.931854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.931854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.931854 (E_RNA)
where:
Base-Base interactions energy: -362.947
where: short stacking energy: -155.077
Base-Backbone interact. energy: -0.002
local terms energy: -166.982885
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -45.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -530.215155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.215155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.215155 (E_RNA)
where:
Base-Base interactions energy: -372.085
where: short stacking energy: -151.916
Base-Backbone interact. energy: -0.394
local terms energy: -157.737063
where:
bonds (distance) C4'-P energy: -35.482
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -18.667
tors. eta vs tors. theta energy: -44.451
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: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -502.588732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.588732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.588732 (E_RNA)
where:
Base-Base interactions energy: -345.795
where: short stacking energy: -153.899
Base-Backbone interact. energy: -0.020
local terms energy: -156.773803
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -44.416
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: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -495.748121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.748121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.748121 (E_RNA)
where:
Base-Base interactions energy: -353.530
where: short stacking energy: -147.421
Base-Backbone interact. energy: 0.125
local terms energy: -142.343213
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -41.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -422.788653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.788653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.788653 (E_RNA)
where:
Base-Base interactions energy: -279.640
where: short stacking energy: -133.764
Base-Backbone interact. energy: -0.248
local terms energy: -142.900843
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -36.142
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: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -412.108475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.108475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.108475 (E_RNA)
where:
Base-Base interactions energy: -259.217
where: short stacking energy: -113.334
Base-Backbone interact. energy: -1.791
local terms energy: -151.100576
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -34.264
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -39.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -304.151146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.151146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.151146 (E_RNA)
where:
Base-Base interactions energy: -174.749
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.283
local terms energy: -129.118843
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -17.318
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: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -259.919494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.919494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.919494 (E_RNA)
where:
Base-Base interactions energy: -151.571
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.490
local terms energy: -107.859043
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -147.578468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.578468 (E_RNA)
where:
Base-Base interactions energy: -45.600
where: short stacking energy: -41.807
Base-Backbone interact. energy: -1.102
local terms energy: -100.876394
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -137.672765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.672765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.672765 (E_RNA)
where:
Base-Base interactions energy: -61.179
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.362
local terms energy: -76.132012
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -12.949
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: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -534.863764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.863764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.863764 (E_RNA)
where:
Base-Base interactions energy: -365.473
where: short stacking energy: -159.330
Base-Backbone interact. energy: -0.943
local terms energy: -168.448004
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -46.483
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: 293
Temperature: 0.950000
Total energy: -515.418498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.418498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.418498 (E_RNA)
where:
Base-Base interactions energy: -356.319
where: short stacking energy: -146.253
Base-Backbone interact. energy: -0.151
local terms energy: -158.948871
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -484.104913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.104913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.104913 (E_RNA)
where:
Base-Base interactions energy: -318.409
where: short stacking energy: -127.649
Base-Backbone interact. energy: 0.101
local terms energy: -165.796419
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -40.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -477.540166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.540166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.540166 (E_RNA)
where:
Base-Base interactions energy: -325.734
where: short stacking energy: -132.145
Base-Backbone interact. energy: 0.205
local terms energy: -152.010709
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -21.142
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: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -448.065146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.065146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.065146 (E_RNA)
where:
Base-Base interactions energy: -299.700
where: short stacking energy: -135.383
Base-Backbone interact. energy: -0.200
local terms energy: -148.165107
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -43.199
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: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -414.303657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.303657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.303657 (E_RNA)
where:
Base-Base interactions energy: -282.069
where: short stacking energy: -124.717
Base-Backbone interact. energy: -0.275
local terms energy: -131.958839
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -39.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -324.240865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.240865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.240865 (E_RNA)
where:
Base-Base interactions energy: -182.037
where: short stacking energy: -87.424
Base-Backbone interact. energy: -2.161
local terms energy: -140.043361
where:
bonds (distance) C4'-P energy: -31.128
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -28.285
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -288.418861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.418861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.418861 (E_RNA)
where:
Base-Base interactions energy: -178.586
where: short stacking energy: -84.468
Base-Backbone interact. energy: -0.187
local terms energy: -109.646130
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -14.507
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: 293
Temperature: 1.300000
Total energy: -160.203911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.203911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.203911 (E_RNA)
where:
Base-Base interactions energy: -77.944
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.310
local terms energy: -81.949873
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -142.967440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.967440 (E_RNA)
where:
Base-Base interactions energy: -51.020
where: short stacking energy: -47.220
Base-Backbone interact. energy: -2.070
local terms energy: -89.877039
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: 1.224
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: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -541.297576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.297576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.297576 (E_RNA)
where:
Base-Base interactions energy: -364.947
where: short stacking energy: -159.361
Base-Backbone interact. energy: 0.053
local terms energy: -176.404136
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -51.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -515.376939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.376939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.376939 (E_RNA)
where:
Base-Base interactions energy: -347.924
where: short stacking energy: -155.610
Base-Backbone interact. energy: -0.129
local terms energy: -167.324680
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -49.105
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -502.328634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.328634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.328634 (E_RNA)
where:
Base-Base interactions energy: -345.764
where: short stacking energy: -136.130
Base-Backbone interact. energy: -0.224
local terms energy: -156.340560
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -41.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -491.575386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.575386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.575386 (E_RNA)
where:
Base-Base interactions energy: -323.680
where: short stacking energy: -145.303
Base-Backbone interact. energy: -0.420
local terms energy: -167.475154
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -32.412
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -419.953964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.953964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.953964 (E_RNA)
where:
Base-Base interactions energy: -293.780
where: short stacking energy: -139.168
Base-Backbone interact. energy: 0.759
local terms energy: -126.932821
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -23.775
flat angles P-C4'-P energy: -16.831
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -425.329139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.329139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.329139 (E_RNA)
where:
Base-Base interactions energy: -284.379
where: short stacking energy: -128.062
Base-Backbone interact. energy: -0.210
local terms energy: -140.739345
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -40.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -321.177962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.177962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.177962 (E_RNA)
where:
Base-Base interactions energy: -196.432
where: short stacking energy: -100.445
Base-Backbone interact. energy: -0.082
local terms energy: -124.664653
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -28.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -293.189319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.189319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.189319 (E_RNA)
where:
Base-Base interactions energy: -169.387
where: short stacking energy: -73.993
Base-Backbone interact. energy: -0.058
local terms energy: -123.744191
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -178.105242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.105242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.105242 (E_RNA)
where:
Base-Base interactions energy: -85.388
where: short stacking energy: -38.226
Base-Backbone interact. energy: 1.032
local terms energy: -93.749700
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -14.458
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: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -150.862039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.862039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.862039 (E_RNA)
where:
Base-Base interactions energy: -79.707
where: short stacking energy: -42.830
Base-Backbone interact. energy: 3.041
local terms energy: -74.196073
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: 3.228
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: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -534.179996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.179996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.179996 (E_RNA)
where:
Base-Base interactions energy: -369.608
where: short stacking energy: -166.773
Base-Backbone interact. energy: 2.593
local terms energy: -167.164409
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -49.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -509.871223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.871223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.871223 (E_RNA)
where:
Base-Base interactions energy: -348.406
where: short stacking energy: -149.867
Base-Backbone interact. energy: 0.501
local terms energy: -161.965811
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -30.407
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -42.780
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -515.302152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.302152 (E_RNA)
where:
Base-Base interactions energy: -359.093
where: short stacking energy: -143.109
Base-Backbone interact. energy: -0.024
local terms energy: -156.186075
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -488.472028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.472028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.472028 (E_RNA)
where:
Base-Base interactions energy: -338.687
where: short stacking energy: -144.194
Base-Backbone interact. energy: -0.007
local terms energy: -149.777395
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -45.796
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: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -435.207291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.207291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.207291 (E_RNA)
where:
Base-Base interactions energy: -296.912
where: short stacking energy: -117.505
Base-Backbone interact. energy: -0.541
local terms energy: -137.754542
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -35.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -417.816731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.816731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.816731 (E_RNA)
where:
Base-Base interactions energy: -271.513
where: short stacking energy: -112.935
Base-Backbone interact. energy: -0.213
local terms energy: -146.089954
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -35.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -320.315345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.315345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.315345 (E_RNA)
where:
Base-Base interactions energy: -188.050
where: short stacking energy: -95.423
Base-Backbone interact. energy: -0.152
local terms energy: -132.112544
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -284.021811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.021811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.021811 (E_RNA)
where:
Base-Base interactions energy: -166.840
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.216
local terms energy: -116.965809
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -14.783
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: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -189.035135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.035135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.035135 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -72.218
Base-Backbone interact. energy: 1.667
local terms energy: -92.567458
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -13.121
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: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -136.010883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.010883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.010883 (E_RNA)
where:
Base-Base interactions energy: -46.425
where: short stacking energy: -42.257
Base-Backbone interact. energy: 1.934
local terms energy: -91.519851
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -533.515375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.515375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.515375 (E_RNA)
where:
Base-Base interactions energy: -353.439
where: short stacking energy: -161.237
Base-Backbone interact. energy: -0.011
local terms energy: -180.065759
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -49.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -516.512164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.512164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.512164 (E_RNA)
where:
Base-Base interactions energy: -354.505
where: short stacking energy: -149.409
Base-Backbone interact. energy: -0.477
local terms energy: -161.530053
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -43.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -502.606366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.606366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.606366 (E_RNA)
where:
Base-Base interactions energy: -346.546
where: short stacking energy: -141.010
Base-Backbone interact. energy: -0.833
local terms energy: -155.227313
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -38.730
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: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -500.601225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.601225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.601225 (E_RNA)
where:
Base-Base interactions energy: -335.653
where: short stacking energy: -143.513
Base-Backbone interact. energy: -1.543
local terms energy: -163.405076
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -424.225003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.225003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.225003 (E_RNA)
where:
Base-Base interactions energy: -274.237
where: short stacking energy: -117.494
Base-Backbone interact. energy: -0.375
local terms energy: -149.613860
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -37.735
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -423.852848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.852848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.852848 (E_RNA)
where:
Base-Base interactions energy: -279.077
where: short stacking energy: -115.791
Base-Backbone interact. energy: 0.406
local terms energy: -145.181987
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -36.525
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: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -311.510748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.510748 (E_RNA)
where:
Base-Base interactions energy: -202.193
where: short stacking energy: -91.988
Base-Backbone interact. energy: -0.040
local terms energy: -109.278484
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -310.260963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.260963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.260963 (E_RNA)
where:
Base-Base interactions energy: -186.649
where: short stacking energy: -87.836
Base-Backbone interact. energy: -0.154
local terms energy: -123.457526
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -198.417970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.417970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.417970 (E_RNA)
where:
Base-Base interactions energy: -103.154
where: short stacking energy: -58.404
Base-Backbone interact. energy: 0.115
local terms energy: -95.378391
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -153.794396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.794396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.794396 (E_RNA)
where:
Base-Base interactions energy: -61.178
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.461
local terms energy: -92.155980
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -537.693976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.693976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.693976 (E_RNA)
where:
Base-Base interactions energy: -374.336
where: short stacking energy: -153.619
Base-Backbone interact. energy: 0.382
local terms energy: -163.740425
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -49.298
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -517.642990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.642990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.642990 (E_RNA)
where:
Base-Base interactions energy: -341.310
where: short stacking energy: -157.855
Base-Backbone interact. energy: -0.444
local terms energy: -175.888473
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -46.099
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: 297
Temperature: 1.000000
Total energy: -504.625624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.625624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.625624 (E_RNA)
where:
Base-Base interactions energy: -347.886
where: short stacking energy: -136.928
Base-Backbone interact. energy: -0.676
local terms energy: -156.064284
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -40.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -492.371730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.371730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.371730 (E_RNA)
where:
Base-Base interactions energy: -349.103
where: short stacking energy: -140.136
Base-Backbone interact. energy: -0.687
local terms energy: -142.582282
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -39.871
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: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -420.891983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.891983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.891983 (E_RNA)
where:
Base-Base interactions energy: -272.147
where: short stacking energy: -137.775
Base-Backbone interact. energy: -0.184
local terms energy: -148.560955
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -29.201
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -45.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -414.929656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.929656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.929656 (E_RNA)
where:
Base-Base interactions energy: -282.917
where: short stacking energy: -120.210
Base-Backbone interact. energy: -0.819
local terms energy: -131.193792
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -38.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -303.993802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.993802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.993802 (E_RNA)
where:
Base-Base interactions energy: -174.813
where: short stacking energy: -76.506
Base-Backbone interact. energy: -0.178
local terms energy: -129.003085
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -32.338
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -232.340199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.340199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.340199 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.443
local terms energy: -98.060093
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -14.255
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: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -301.675091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.675091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.675091 (E_RNA)
where:
Base-Base interactions energy: -174.792
where: short stacking energy: -79.421
Base-Backbone interact. energy: -0.172
local terms energy: -126.711034
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -158.549439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.549439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.549439 (E_RNA)
where:
Base-Base interactions energy: -56.015
where: short stacking energy: -49.802
Base-Backbone interact. energy: 1.296
local terms energy: -103.829885
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -535.690043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.690043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.690043 (E_RNA)
where:
Base-Base interactions energy: -373.172
where: short stacking energy: -159.877
Base-Backbone interact. energy: -0.080
local terms energy: -162.438808
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -45.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -514.276314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.276314 (E_RNA)
where:
Base-Base interactions energy: -348.193
where: short stacking energy: -145.460
Base-Backbone interact. energy: -0.037
local terms energy: -166.046641
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -50.653
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -505.095246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.095246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.095246 (E_RNA)
where:
Base-Base interactions energy: -348.281
where: short stacking energy: -136.001
Base-Backbone interact. energy: -0.636
local terms energy: -156.177529
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -39.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -501.374088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.374088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.374088 (E_RNA)
where:
Base-Base interactions energy: -350.117
where: short stacking energy: -133.610
Base-Backbone interact. energy: -1.469
local terms energy: -149.787447
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -35.984
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: 298
Temperature: 1.100000
Total energy: -424.312330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.312330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.312330 (E_RNA)
where:
Base-Base interactions energy: -272.822
where: short stacking energy: -119.203
Base-Backbone interact. energy: 0.178
local terms energy: -151.667607
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -39.226
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: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -389.520195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.520195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.520195 (E_RNA)
where:
Base-Base interactions energy: -261.784
where: short stacking energy: -116.525
Base-Backbone interact. energy: -0.535
local terms energy: -127.201725
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -34.922
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: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -223.251169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.251169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.251169 (E_RNA)
where:
Base-Base interactions energy: -117.827
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.497
local terms energy: -104.926689
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -323.784089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.784089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.784089 (E_RNA)
where:
Base-Base interactions energy: -202.321
where: short stacking energy: -88.905
Base-Backbone interact. energy: -1.312
local terms energy: -120.150118
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -288.548814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.548814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.548814 (E_RNA)
where:
Base-Base interactions energy: -172.843
where: short stacking energy: -83.958
Base-Backbone interact. energy: -0.893
local terms energy: -114.813703
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -140.621451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.621451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.621451 (E_RNA)
where:
Base-Base interactions energy: -55.278
where: short stacking energy: -46.050
Base-Backbone interact. energy: -0.324
local terms energy: -85.019249
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: 4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -527.005394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.005394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.005394 (E_RNA)
where:
Base-Base interactions energy: -363.316
where: short stacking energy: -149.970
Base-Backbone interact. energy: -0.341
local terms energy: -163.348871
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -43.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -513.702403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.702403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.702403 (E_RNA)
where:
Base-Base interactions energy: -345.390
where: short stacking energy: -127.660
Base-Backbone interact. energy: -0.072
local terms energy: -168.240450
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -513.293187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.293187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.293187 (E_RNA)
where:
Base-Base interactions energy: -341.152
where: short stacking energy: -154.211
Base-Backbone interact. energy: -0.314
local terms energy: -171.826833
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -47.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -485.367488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.367488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.367488 (E_RNA)
where:
Base-Base interactions energy: -335.375
where: short stacking energy: -128.686
Base-Backbone interact. energy: -0.155
local terms energy: -149.837207
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -428.600898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.600898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.600898 (E_RNA)
where:
Base-Base interactions energy: -284.597
where: short stacking energy: -118.310
Base-Backbone interact. energy: -0.196
local terms energy: -143.808096
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -37.511
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -405.907924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.907924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.907924 (E_RNA)
where:
Base-Base interactions energy: -270.613
where: short stacking energy: -120.831
Base-Backbone interact. energy: -0.444
local terms energy: -134.851187
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -38.943
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: 299
Temperature: 1.200000
Total energy: -220.665559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.665559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.665559 (E_RNA)
where:
Base-Base interactions energy: -118.739
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.423
local terms energy: -101.504132
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -315.846626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.846626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.846626 (E_RNA)
where:
Base-Base interactions energy: -190.337
where: short stacking energy: -86.833
Base-Backbone interact. energy: -0.206
local terms energy: -125.303342
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -347.712482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.712482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.712482 (E_RNA)
where:
Base-Base interactions energy: -223.754
where: short stacking energy: -101.673
Base-Backbone interact. energy: -0.497
local terms energy: -123.461487
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -142.191989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.191989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.191989 (E_RNA)
where:
Base-Base interactions energy: -60.536
where: short stacking energy: -36.031
Base-Backbone interact. energy: -1.061
local terms energy: -80.595401
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -537.541907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.541907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.541907 (E_RNA)
where:
Base-Base interactions energy: -365.357
where: short stacking energy: -147.178
Base-Backbone interact. energy: -0.613
local terms energy: -171.571978
where:
bonds (distance) C4'-P energy: -30.743
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: -48.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -519.645870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.645870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.645870 (E_RNA)
where:
Base-Base interactions energy: -362.337
where: short stacking energy: -148.252
Base-Backbone interact. energy: -0.100
local terms energy: -157.208184
where:
bonds (distance) C4'-P energy: -32.942
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -36.023
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -41.012
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: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -489.962362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.962362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.962362 (E_RNA)
where:
Base-Base interactions energy: -329.604
where: short stacking energy: -137.863
Base-Backbone interact. energy: -0.142
local terms energy: -160.216381
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -493.289851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.289851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.289851 (E_RNA)
where:
Base-Base interactions energy: -344.361
where: short stacking energy: -141.671
Base-Backbone interact. energy: -1.212
local terms energy: -147.716837
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -40.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -429.684856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.684856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.684856 (E_RNA)
where:
Base-Base interactions energy: -289.116
where: short stacking energy: -135.563
Base-Backbone interact. energy: -0.263
local terms energy: -140.306582
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -31.076
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -431.031606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.031606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.031606 (E_RNA)
where:
Base-Base interactions energy: -286.468
where: short stacking energy: -130.084
Base-Backbone interact. energy: 0.415
local terms energy: -144.978319
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -29.753
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -37.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -321.062759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.062759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.062759 (E_RNA)
where:
Base-Base interactions energy: -192.893
where: short stacking energy: -87.483
Base-Backbone interact. energy: 0.881
local terms energy: -129.050843
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -191.741029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.741029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.741029 (E_RNA)
where:
Base-Base interactions energy: -87.817
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.207
local terms energy: -103.716764
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -211.372238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.372238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.372238 (E_RNA)
where:
Base-Base interactions energy: -119.957
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.388
local terms energy: -91.027012
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -136.343698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.343698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.343698 (E_RNA)
where:
Base-Base interactions energy: -47.166
where: short stacking energy: -41.693
Base-Backbone interact. energy: 2.878
local terms energy: -92.055563
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -533.011216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.011216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.011216 (E_RNA)
where:
Base-Base interactions energy: -366.975
where: short stacking energy: -154.586
Base-Backbone interact. energy: -1.656
local terms energy: -164.380277
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -53.116
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: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -513.698040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.698040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.698040 (E_RNA)
where:
Base-Base interactions energy: -351.180
where: short stacking energy: -143.441
Base-Backbone interact. energy: 0.820
local terms energy: -163.338030
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -44.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -492.461085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.461085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.461085 (E_RNA)
where:
Base-Base interactions energy: -347.313
where: short stacking energy: -135.175
Base-Backbone interact. energy: -0.554
local terms energy: -144.594085
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -41.454
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -507.624969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.624969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.624969 (E_RNA)
where:
Base-Base interactions energy: -350.851
where: short stacking energy: -140.450
Base-Backbone interact. energy: -1.102
local terms energy: -155.671580
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -40.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -447.110336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.110336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.110336 (E_RNA)
where:
Base-Base interactions energy: -310.278
where: short stacking energy: -129.701
Base-Backbone interact. energy: -0.655
local terms energy: -136.177429
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -417.614370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.614370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.614370 (E_RNA)
where:
Base-Base interactions energy: -278.500
where: short stacking energy: -121.823
Base-Backbone interact. energy: -0.964
local terms energy: -138.150731
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -41.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -325.020419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.020419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.020419 (E_RNA)
where:
Base-Base interactions energy: -208.095
where: short stacking energy: -100.484
Base-Backbone interact. energy: 0.691
local terms energy: -117.616067
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -199.129714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.129714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.129714 (E_RNA)
where:
Base-Base interactions energy: -104.031
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.422
local terms energy: -94.676696
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: 4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -237.768721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.768721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.768721 (E_RNA)
where:
Base-Base interactions energy: -147.268
where: short stacking energy: -80.167
Base-Backbone interact. energy: -1.640
local terms energy: -88.860132
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -144.918200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.918200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.918200 (E_RNA)
where:
Base-Base interactions energy: -51.039
where: short stacking energy: -42.815
Base-Backbone interact. energy: -0.906
local terms energy: -92.973380
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: 5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -532.654914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.654914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.654914 (E_RNA)
where:
Base-Base interactions energy: -364.203
where: short stacking energy: -157.147
Base-Backbone interact. energy: -0.011
local terms energy: -168.441639
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -51.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -504.739888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.739888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.739888 (E_RNA)
where:
Base-Base interactions energy: -351.482
where: short stacking energy: -162.818
Base-Backbone interact. energy: 1.479
local terms energy: -154.736875
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -43.478
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: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -497.464742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.464742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.464742 (E_RNA)
where:
Base-Base interactions energy: -336.276
where: short stacking energy: -136.191
Base-Backbone interact. energy: -0.166
local terms energy: -161.022705
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -38.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -516.881340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.881340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.881340 (E_RNA)
where:
Base-Base interactions energy: -344.855
where: short stacking energy: -150.169
Base-Backbone interact. energy: -0.298
local terms energy: -171.727734
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -49.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -437.130695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.130695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.130695 (E_RNA)
where:
Base-Base interactions energy: -300.301
where: short stacking energy: -126.436
Base-Backbone interact. energy: -0.342
local terms energy: -136.487800
where:
bonds (distance) C4'-P energy: -30.199
bonds (distance) P-C4' energy: -28.947
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -36.187
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: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -411.914255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.914255 (E_RNA)
where:
Base-Base interactions energy: -271.003
where: short stacking energy: -109.147
Base-Backbone interact. energy: -0.177
local terms energy: -140.734758
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -31.723
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -37.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -376.109189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.109189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.109189 (E_RNA)
where:
Base-Base interactions energy: -249.203
where: short stacking energy: -120.567
Base-Backbone interact. energy: -0.154
local terms energy: -126.752322
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -33.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -209.553385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.553385 (E_RNA)
where:
Base-Base interactions energy: -105.506
where: short stacking energy: -62.889
Base-Backbone interact. energy: 0.302
local terms energy: -104.349232
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -242.712337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.712337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.712337 (E_RNA)
where:
Base-Base interactions energy: -135.523
where: short stacking energy: -57.826
Base-Backbone interact. energy: -2.111
local terms energy: -105.078994
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -130.695320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.695320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.695320 (E_RNA)
where:
Base-Base interactions energy: -55.227
where: short stacking energy: -36.069
Base-Backbone interact. energy: 2.833
local terms energy: -78.301465
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: 4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -525.010290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.010290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.010290 (E_RNA)
where:
Base-Base interactions energy: -353.351
where: short stacking energy: -147.607
Base-Backbone interact. energy: 0.248
local terms energy: -171.906872
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -34.118
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -46.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -497.369894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.369894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.369894 (E_RNA)
where:
Base-Base interactions energy: -340.407
where: short stacking energy: -145.630
Base-Backbone interact. energy: -0.046
local terms energy: -156.916704
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -485.875383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.875383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.875383 (E_RNA)
where:
Base-Base interactions energy: -333.826
where: short stacking energy: -150.674
Base-Backbone interact. energy: -0.052
local terms energy: -151.997076
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -41.306
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: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -493.597932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.597932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.597932 (E_RNA)
where:
Base-Base interactions energy: -333.686
where: short stacking energy: -142.811
Base-Backbone interact. energy: -0.255
local terms energy: -159.657304
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -43.091
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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -439.110319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.110319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.110319 (E_RNA)
where:
Base-Base interactions energy: -293.647
where: short stacking energy: -115.098
Base-Backbone interact. energy: -0.550
local terms energy: -144.913210
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -33.899
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -373.597772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.597772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.597772 (E_RNA)
where:
Base-Base interactions energy: -241.643
where: short stacking energy: -110.441
Base-Backbone interact. energy: 0.340
local terms energy: -132.294305
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -22.257
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: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -411.822817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.822817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.822817 (E_RNA)
where:
Base-Base interactions energy: -275.610
where: short stacking energy: -130.677
Base-Backbone interact. energy: -0.736
local terms energy: -135.477155
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -33.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -222.871063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.871063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.871063 (E_RNA)
where:
Base-Base interactions energy: -112.755
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.452
local terms energy: -109.663463
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -253.582380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.582380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.582380 (E_RNA)
where:
Base-Base interactions energy: -137.556
where: short stacking energy: -55.707
Base-Backbone interact. energy: -1.112
local terms energy: -114.914298
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -143.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.376377 (E_RNA)
where:
Base-Base interactions energy: -51.758
where: short stacking energy: -42.811
Base-Backbone interact. energy: -1.069
local terms energy: -90.549830
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -532.050743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.050743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.050743 (E_RNA)
where:
Base-Base interactions energy: -354.866
where: short stacking energy: -155.386
Base-Backbone interact. energy: -0.972
local terms energy: -176.212510
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -516.240009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.240009 (E_RNA)
where:
Base-Base interactions energy: -348.562
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.418
local terms energy: -167.260413
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -44.709
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: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -496.588127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.588127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.588127 (E_RNA)
where:
Base-Base interactions energy: -338.778
where: short stacking energy: -129.743
Base-Backbone interact. energy: -0.049
local terms energy: -157.761192
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -45.795
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -492.940911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.940911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.940911 (E_RNA)
where:
Base-Base interactions energy: -344.269
where: short stacking energy: -144.111
Base-Backbone interact. energy: -0.416
local terms energy: -148.255410
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -39.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -439.593110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.593110 (E_RNA)
where:
Base-Base interactions energy: -296.090
where: short stacking energy: -124.826
Base-Backbone interact. energy: -0.399
local terms energy: -143.104081
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -39.756
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: 304
Temperature: 1.150000
Total energy: -381.126898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.126898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.126898 (E_RNA)
where:
Base-Base interactions energy: -243.711
where: short stacking energy: -121.823
Base-Backbone interact. energy: 0.591
local terms energy: -138.007178
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -32.540
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -33.590
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: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -414.668550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.668550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.668550 (E_RNA)
where:
Base-Base interactions energy: -272.142
where: short stacking energy: -128.389
Base-Backbone interact. energy: -0.005
local terms energy: -142.521625
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -16.176
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: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -202.439812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439812 (E_RNA)
where:
Base-Base interactions energy: -107.496
where: short stacking energy: -43.915
Base-Backbone interact. energy: 0.884
local terms energy: -95.827616
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -18.051
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: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -233.933666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.933666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.933666 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -56.749
Base-Backbone interact. energy: -0.796
local terms energy: -108.363600
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -141.203381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.203381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.203381 (E_RNA)
where:
Base-Base interactions energy: -41.023
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.204
local terms energy: -99.976743
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -537.581348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.581348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.581348 (E_RNA)
where:
Base-Base interactions energy: -371.075
where: short stacking energy: -158.642
Base-Backbone interact. energy: -0.359
local terms energy: -166.147102
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -46.345
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: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -519.396484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.396484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.396484 (E_RNA)
where:
Base-Base interactions energy: -357.771
where: short stacking energy: -135.466
Base-Backbone interact. energy: -0.796
local terms energy: -160.829512
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -29.585
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -47.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -522.135038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.135038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.135038 (E_RNA)
where:
Base-Base interactions energy: -351.405
where: short stacking energy: -147.854
Base-Backbone interact. energy: -0.815
local terms energy: -169.914582
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -48.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -490.786955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.786955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.786955 (E_RNA)
where:
Base-Base interactions energy: -341.116
where: short stacking energy: -144.908
Base-Backbone interact. energy: -0.176
local terms energy: -149.494181
where:
bonds (distance) C4'-P energy: -26.397
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -37.597
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: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -428.493642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.493642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.493642 (E_RNA)
where:
Base-Base interactions energy: -285.323
where: short stacking energy: -124.866
Base-Backbone interact. energy: -1.009
local terms energy: -142.161706
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -36.674
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -406.893041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.893041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.893041 (E_RNA)
where:
Base-Base interactions energy: -269.668
where: short stacking energy: -109.921
Base-Backbone interact. energy: -0.835
local terms energy: -136.390018
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -377.325831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.325831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.325831 (E_RNA)
where:
Base-Base interactions energy: -244.440
where: short stacking energy: -125.482
Base-Backbone interact. energy: -0.403
local terms energy: -132.483085
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -197.460253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.460253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.460253 (E_RNA)
where:
Base-Base interactions energy: -99.492
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.506
local terms energy: -97.462194
where:
bonds (distance) C4'-P energy: -25.672
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -214.520146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.520146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.520146 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -62.307
Base-Backbone interact. energy: -1.517
local terms energy: -89.504857
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -4.219
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -150.719622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.719622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.719622 (E_RNA)
where:
Base-Base interactions energy: -55.366
where: short stacking energy: -48.643
Base-Backbone interact. energy: -0.289
local terms energy: -95.064456
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -535.846337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.846337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.846337 (E_RNA)
where:
Base-Base interactions energy: -376.651
where: short stacking energy: -155.979
Base-Backbone interact. energy: -0.056
local terms energy: -159.138903
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -49.436
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: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -540.206011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.206011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.206011 (E_RNA)
where:
Base-Base interactions energy: -377.335
where: short stacking energy: -149.754
Base-Backbone interact. energy: -0.722
local terms energy: -162.149053
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -35.053
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -512.989300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.989300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.989300 (E_RNA)
where:
Base-Base interactions energy: -346.388
where: short stacking energy: -143.410
Base-Backbone interact. energy: -1.743
local terms energy: -164.858778
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -48.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -499.181146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.181146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.181146 (E_RNA)
where:
Base-Base interactions energy: -339.960
where: short stacking energy: -144.640
Base-Backbone interact. energy: -0.939
local terms energy: -158.282531
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -45.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -434.762835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.762835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.762835 (E_RNA)
where:
Base-Base interactions energy: -291.480
where: short stacking energy: -132.009
Base-Backbone interact. energy: 1.229
local terms energy: -144.512289
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -32.481
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -34.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -414.091347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.091347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.091347 (E_RNA)
where:
Base-Base interactions energy: -277.642
where: short stacking energy: -122.493
Base-Backbone interact. energy: -0.122
local terms energy: -136.327511
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -389.586196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.586196 (E_RNA)
where:
Base-Base interactions energy: -248.119
where: short stacking energy: -124.244
Base-Backbone interact. energy: -0.234
local terms energy: -141.233279
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -193.097604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.097604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.097604 (E_RNA)
where:
Base-Base interactions energy: -96.495
where: short stacking energy: -49.368
Base-Backbone interact. energy: 0.655
local terms energy: -97.257381
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.499
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: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -226.298522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.298522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.298522 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.398
local terms energy: -100.528713
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -144.525395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.525395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.525395 (E_RNA)
where:
Base-Base interactions energy: -53.922
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.525
local terms energy: -90.078460
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -533.882961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.882961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.882961 (E_RNA)
where:
Base-Base interactions energy: -367.751
where: short stacking energy: -150.544
Base-Backbone interact. energy: -1.333
local terms energy: -164.798549
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -37.232
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -517.148839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.148839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.148839 (E_RNA)
where:
Base-Base interactions energy: -358.159
where: short stacking energy: -153.293
Base-Backbone interact. energy: -0.440
local terms energy: -158.549319
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -47.303
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: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -521.658702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.658702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.658702 (E_RNA)
where:
Base-Base interactions energy: -351.250
where: short stacking energy: -131.426
Base-Backbone interact. energy: -0.767
local terms energy: -169.641614
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -44.075
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: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -496.498028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.498028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.498028 (E_RNA)
where:
Base-Base interactions energy: -343.804
where: short stacking energy: -145.518
Base-Backbone interact. energy: -0.288
local terms energy: -152.406893
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -42.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -437.137065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.137065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.137065 (E_RNA)
where:
Base-Base interactions energy: -296.633
where: short stacking energy: -140.851
Base-Backbone interact. energy: -0.974
local terms energy: -139.530022
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: -35.741
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: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -411.489357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.489357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.489357 (E_RNA)
where:
Base-Base interactions energy: -272.012
where: short stacking energy: -125.681
Base-Backbone interact. energy: -0.202
local terms energy: -139.275192
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -380.296504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.296504 (E_RNA)
where:
Base-Base interactions energy: -247.224
where: short stacking energy: -106.243
Base-Backbone interact. energy: -1.086
local terms energy: -131.986558
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -21.914
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: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -218.647008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647008 (E_RNA)
where:
Base-Base interactions energy: -130.862
where: short stacking energy: -59.075
Base-Backbone interact. energy: 2.432
local terms energy: -90.217615
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -254.876980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.876980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.876980 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -63.839
Base-Backbone interact. energy: 1.737
local terms energy: -94.248319
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -133.723255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.723255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.723255 (E_RNA)
where:
Base-Base interactions energy: -35.758
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.325
local terms energy: -97.640479
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -525.611051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.611051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.611051 (E_RNA)
where:
Base-Base interactions energy: -359.347
where: short stacking energy: -159.093
Base-Backbone interact. energy: -0.582
local terms energy: -165.682094
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -48.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -520.297867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.297867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.297867 (E_RNA)
where:
Base-Base interactions energy: -358.996
where: short stacking energy: -138.077
Base-Backbone interact. energy: -0.246
local terms energy: -161.055782
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -46.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -519.200132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.200132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.200132 (E_RNA)
where:
Base-Base interactions energy: -367.319
where: short stacking energy: -148.847
Base-Backbone interact. energy: 1.376
local terms energy: -153.256838
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -28.153
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -39.880
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: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -506.259454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.259454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.259454 (E_RNA)
where:
Base-Base interactions energy: -358.924
where: short stacking energy: -140.797
Base-Backbone interact. energy: -1.724
local terms energy: -145.611540
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -30.257
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -38.049
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: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -422.165508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.165508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.165508 (E_RNA)
where:
Base-Base interactions energy: -286.950
where: short stacking energy: -119.611
Base-Backbone interact. energy: 0.005
local terms energy: -135.220876
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -35.388
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: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -421.979170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.979170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.979170 (E_RNA)
where:
Base-Base interactions energy: -285.296
where: short stacking energy: -124.298
Base-Backbone interact. energy: -0.125
local terms energy: -136.557282
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -35.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -275.449594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.449594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.449594 (E_RNA)
where:
Base-Base interactions energy: -156.375
where: short stacking energy: -94.417
Base-Backbone interact. energy: -0.394
local terms energy: -118.680241
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -349.405664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.405664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.405664 (E_RNA)
where:
Base-Base interactions energy: -222.375
where: short stacking energy: -99.044
Base-Backbone interact. energy: -0.263
local terms energy: -126.767042
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -247.857850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.857850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.857850 (E_RNA)
where:
Base-Base interactions energy: -148.653
where: short stacking energy: -69.088
Base-Backbone interact. energy: 0.634
local terms energy: -99.838540
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -151.975329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.975329 (E_RNA)
where:
Base-Base interactions energy: -65.033
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.115
local terms energy: -86.827532
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 0.228
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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -537.306143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.306143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.306143 (E_RNA)
where:
Base-Base interactions energy: -367.303
where: short stacking energy: -144.214
Base-Backbone interact. energy: -0.968
local terms energy: -169.034900
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -512.269130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.269130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.269130 (E_RNA)
where:
Base-Base interactions energy: -351.350
where: short stacking energy: -141.176
Base-Backbone interact. energy: -0.599
local terms energy: -160.320582
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -26.915
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -40.673
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: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -521.120653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.120653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.120653 (E_RNA)
where:
Base-Base interactions energy: -359.240
where: short stacking energy: -150.830
Base-Backbone interact. energy: -0.180
local terms energy: -161.699823
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -506.174022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.174022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.174022 (E_RNA)
where:
Base-Base interactions energy: -354.709
where: short stacking energy: -149.454
Base-Backbone interact. energy: 0.330
local terms energy: -151.795072
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -36.060
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -39.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -426.462046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.462046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.462046 (E_RNA)
where:
Base-Base interactions energy: -301.493
where: short stacking energy: -126.096
Base-Backbone interact. energy: -1.061
local terms energy: -123.908305
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -28.857
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: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -420.110838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.110838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.110838 (E_RNA)
where:
Base-Base interactions energy: -274.772
where: short stacking energy: -121.054
Base-Backbone interact. energy: -0.177
local terms energy: -145.161742
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -29.054
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -37.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -310.477111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.477111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.477111 (E_RNA)
where:
Base-Base interactions energy: -187.445
where: short stacking energy: -93.350
Base-Backbone interact. energy: -1.452
local terms energy: -121.579431
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -323.865742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.865742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.865742 (E_RNA)
where:
Base-Base interactions energy: -213.374
where: short stacking energy: -110.248
Base-Backbone interact. energy: -0.515
local terms energy: -109.976598
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -25.627
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -231.963884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963884 (E_RNA)
where:
Base-Base interactions energy: -126.320
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.443
local terms energy: -105.200641
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -135.621954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.621954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.621954 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -18.641
Base-Backbone interact. energy: -1.085
local terms energy: -95.040478
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -14.748
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: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -544.686327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.686327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.686327 (E_RNA)
where:
Base-Base interactions energy: -377.242
where: short stacking energy: -155.951
Base-Backbone interact. energy: -0.036
local terms energy: -167.408154
where:
bonds (distance) C4'-P energy: -32.135
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -35.208
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -44.726
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: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -527.030884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.030884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.030884 (E_RNA)
where:
Base-Base interactions energy: -362.439
where: short stacking energy: -144.017
Base-Backbone interact. energy: 0.349
local terms energy: -164.940782
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -44.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -514.041536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.041536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.041536 (E_RNA)
where:
Base-Base interactions energy: -351.910
where: short stacking energy: -136.744
Base-Backbone interact. energy: -0.249
local terms energy: -161.882316
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -28.624
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -42.199
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -502.398989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.398989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.398989 (E_RNA)
where:
Base-Base interactions energy: -341.663
where: short stacking energy: -145.358
Base-Backbone interact. energy: -0.737
local terms energy: -159.999203
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -31.603
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -49.040
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: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -432.449030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.449030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.449030 (E_RNA)
where:
Base-Base interactions energy: -290.525
where: short stacking energy: -123.790
Base-Backbone interact. energy: 1.350
local terms energy: -143.274613
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -35.359
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: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -406.429090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.429090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.429090 (E_RNA)
where:
Base-Base interactions energy: -282.706
where: short stacking energy: -128.002
Base-Backbone interact. energy: -0.697
local terms energy: -123.025935
where:
bonds (distance) C4'-P energy: -25.573
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -11.527
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: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -353.799990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.799990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.799990 (E_RNA)
where:
Base-Base interactions energy: -229.170
where: short stacking energy: -98.575
Base-Backbone interact. energy: -0.215
local terms energy: -124.415869
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -323.025994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.025994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.025994 (E_RNA)
where:
Base-Base interactions energy: -204.920
where: short stacking energy: -97.008
Base-Backbone interact. energy: -0.043
local terms energy: -118.063414
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -198.975479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.975479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.975479 (E_RNA)
where:
Base-Base interactions energy: -106.182
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.970
local terms energy: -91.823008
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -146.184295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.184295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.184295 (E_RNA)
where:
Base-Base interactions energy: -50.732
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.322
local terms energy: -95.129786
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -525.923494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.923494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.923494 (E_RNA)
where:
Base-Base interactions energy: -362.934
where: short stacking energy: -154.365
Base-Backbone interact. energy: -0.772
local terms energy: -162.217090
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -32.856
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -42.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -516.622681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.622681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.622681 (E_RNA)
where:
Base-Base interactions energy: -357.962
where: short stacking energy: -149.938
Base-Backbone interact. energy: -1.841
local terms energy: -156.820244
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -503.440411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.440411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.440411 (E_RNA)
where:
Base-Base interactions energy: -344.859
where: short stacking energy: -154.148
Base-Backbone interact. energy: 0.269
local terms energy: -158.850188
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -48.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -512.994835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.994835 (E_RNA)
where:
Base-Base interactions energy: -352.192
where: short stacking energy: -143.269
Base-Backbone interact. energy: -0.759
local terms energy: -160.044379
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -43.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -424.823585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.823585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.823585 (E_RNA)
where:
Base-Base interactions energy: -279.778
where: short stacking energy: -111.536
Base-Backbone interact. energy: -0.052
local terms energy: -144.993269
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -21.048
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -410.365492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.365492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.365492 (E_RNA)
where:
Base-Base interactions energy: -270.618
where: short stacking energy: -125.227
Base-Backbone interact. energy: 0.055
local terms energy: -139.802348
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -366.253263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.253263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.253263 (E_RNA)
where:
Base-Base interactions energy: -229.073
where: short stacking energy: -105.170
Base-Backbone interact. energy: -0.311
local terms energy: -136.869161
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -22.656
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: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -363.180973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.180973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.180973 (E_RNA)
where:
Base-Base interactions energy: -235.165
where: short stacking energy: -105.583
Base-Backbone interact. energy: 0.072
local terms energy: -128.088147
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -20.232
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -143.465095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.465095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.465095 (E_RNA)
where:
Base-Base interactions energy: -50.057
where: short stacking energy: -46.212
Base-Backbone interact. energy: 1.308
local terms energy: -94.715543
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -25.979
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -138.545202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.545202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.545202 (E_RNA)
where:
Base-Base interactions energy: -59.531
where: short stacking energy: -55.499
Base-Backbone interact. energy: 0.067
local terms energy: -79.081618
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -525.893111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.893111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.893111 (E_RNA)
where:
Base-Base interactions energy: -366.947
where: short stacking energy: -152.632
Base-Backbone interact. energy: -0.557
local terms energy: -158.389487
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -35.817
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -41.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -525.224261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.224261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.224261 (E_RNA)
where:
Base-Base interactions energy: -359.296
where: short stacking energy: -163.090
Base-Backbone interact. energy: -0.126
local terms energy: -165.802505
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -35.048
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -47.259
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: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -512.411630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.411630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.411630 (E_RNA)
where:
Base-Base interactions energy: -340.498
where: short stacking energy: -152.398
Base-Backbone interact. energy: -0.026
local terms energy: -171.886754
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -48.986
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: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -511.097741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.097741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.097741 (E_RNA)
where:
Base-Base interactions energy: -364.902
where: short stacking energy: -144.624
Base-Backbone interact. energy: -0.306
local terms energy: -145.888933
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -39.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -427.969407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.969407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.969407 (E_RNA)
where:
Base-Base interactions energy: -289.158
where: short stacking energy: -135.292
Base-Backbone interact. energy: -0.602
local terms energy: -138.209391
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -38.023
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: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -418.320001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.320001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.320001 (E_RNA)
where:
Base-Base interactions energy: -290.261
where: short stacking energy: -127.496
Base-Backbone interact. energy: -1.197
local terms energy: -126.861921
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -17.226
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -373.381054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.381054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.381054 (E_RNA)
where:
Base-Base interactions energy: -241.949
where: short stacking energy: -109.915
Base-Backbone interact. energy: -0.236
local terms energy: -131.196599
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -22.334
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -352.869831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.869831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.869831 (E_RNA)
where:
Base-Base interactions energy: -220.370
where: short stacking energy: -99.634
Base-Backbone interact. energy: -0.705
local terms energy: -131.794616
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -160.468120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.468120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.468120 (E_RNA)
where:
Base-Base interactions energy: -64.726
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.186
local terms energy: -95.556163
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -148.411554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.411554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.411554 (E_RNA)
where:
Base-Base interactions energy: -57.020
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.521
local terms energy: -90.871081
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -30.236
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: 2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -524.932692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.932692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.932692 (E_RNA)
where:
Base-Base interactions energy: -359.194
where: short stacking energy: -158.892
Base-Backbone interact. energy: -0.238
local terms energy: -165.500772
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -33.794
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -521.855166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.855166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.855166 (E_RNA)
where:
Base-Base interactions energy: -352.815
where: short stacking energy: -142.279
Base-Backbone interact. energy: -0.383
local terms energy: -168.656829
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -31.160
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -522.273530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.273530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.273530 (E_RNA)
where:
Base-Base interactions energy: -366.787
where: short stacking energy: -146.010
Base-Backbone interact. energy: -0.104
local terms energy: -155.382520
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -49.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -502.518030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.518030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.518030 (E_RNA)
where:
Base-Base interactions energy: -342.366
where: short stacking energy: -141.804
Base-Backbone interact. energy: 0.491
local terms energy: -160.642556
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -30.987
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -45.650
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: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -435.827930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.827930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.827930 (E_RNA)
where:
Base-Base interactions energy: -284.545
where: short stacking energy: -131.496
Base-Backbone interact. energy: -1.663
local terms energy: -149.620752
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -37.717
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -34.475
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: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -373.393659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.393659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.393659 (E_RNA)
where:
Base-Base interactions energy: -247.572
where: short stacking energy: -105.765
Base-Backbone interact. energy: -0.256
local terms energy: -125.564870
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -26.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -383.424982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.424982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.424982 (E_RNA)
where:
Base-Base interactions energy: -246.519
where: short stacking energy: -102.896
Base-Backbone interact. energy: -1.163
local terms energy: -135.742723
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -15.138
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -353.102219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.102219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.102219 (E_RNA)
where:
Base-Base interactions energy: -222.905
where: short stacking energy: -94.810
Base-Backbone interact. energy: -0.283
local terms energy: -129.914448
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -25.301
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: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -155.096811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.096811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.096811 (E_RNA)
where:
Base-Base interactions energy: -59.672
where: short stacking energy: -45.091
Base-Backbone interact. energy: -0.144
local terms energy: -95.281237
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -7.502
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -140.240746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.240746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.240746 (E_RNA)
where:
Base-Base interactions energy: -40.878
where: short stacking energy: -26.185
Base-Backbone interact. energy: 0.504
local terms energy: -99.866117
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -530.039420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.039420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.039420 (E_RNA)
where:
Base-Base interactions energy: -369.412
where: short stacking energy: -156.214
Base-Backbone interact. energy: -0.033
local terms energy: -160.593699
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -44.741
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -511.573227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.573227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.573227 (E_RNA)
where:
Base-Base interactions energy: -359.798
where: short stacking energy: -160.256
Base-Backbone interact. energy: -0.014
local terms energy: -151.761167
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -33.500
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -518.534933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.534933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.534933 (E_RNA)
where:
Base-Base interactions energy: -355.632
where: short stacking energy: -158.762
Base-Backbone interact. energy: 0.184
local terms energy: -163.087469
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -28.093
tors. eta vs tors. theta energy: -45.347
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -511.113983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.113983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.113983 (E_RNA)
where:
Base-Base interactions energy: -343.903
where: short stacking energy: -142.769
Base-Backbone interact. energy: -0.439
local terms energy: -166.772222
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -36.679
flat angles C4'-P-C4' energy: -37.723
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -45.832
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -442.445590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.445590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.445590 (E_RNA)
where:
Base-Base interactions energy: -285.074
where: short stacking energy: -138.707
Base-Backbone interact. energy: -0.293
local terms energy: -157.079507
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -40.824
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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -383.657968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.657968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.657968 (E_RNA)
where:
Base-Base interactions energy: -232.843
where: short stacking energy: -102.452
Base-Backbone interact. energy: -0.054
local terms energy: -150.760376
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -32.990
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -36.884
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -359.020114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.020114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.020114 (E_RNA)
where:
Base-Base interactions energy: -220.867
where: short stacking energy: -102.154
Base-Backbone interact. energy: -1.150
local terms energy: -137.003025
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -23.317
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -389.985846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.985846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.985846 (E_RNA)
where:
Base-Base interactions energy: -261.124
where: short stacking energy: -108.439
Base-Backbone interact. energy: -1.067
local terms energy: -127.795265
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -19.452
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -139.998449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.998449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.998449 (E_RNA)
where:
Base-Base interactions energy: -46.402
where: short stacking energy: -35.879
Base-Backbone interact. energy: 6.281
local terms energy: -99.876750
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -141.679173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.679173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.679173 (E_RNA)
where:
Base-Base interactions energy: -53.016
where: short stacking energy: -39.809
Base-Backbone interact. energy: -0.221
local terms energy: -88.441982
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -523.126934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.126934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.126934 (E_RNA)
where:
Base-Base interactions energy: -355.851
where: short stacking energy: -159.935
Base-Backbone interact. energy: -1.162
local terms energy: -166.113336
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -28.847
tors. eta vs tors. theta energy: -47.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -512.333792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.333792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.333792 (E_RNA)
where:
Base-Base interactions energy: -347.340
where: short stacking energy: -150.705
Base-Backbone interact. energy: -2.004
local terms energy: -162.989981
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -43.023
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -516.490615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.490615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.490615 (E_RNA)
where:
Base-Base interactions energy: -356.096
where: short stacking energy: -148.610
Base-Backbone interact. energy: -0.138
local terms energy: -160.255952
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -30.603
flat angles C4'-P-C4' energy: -33.849
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -43.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -497.261469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.261469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.261469 (E_RNA)
where:
Base-Base interactions energy: -339.229
where: short stacking energy: -138.193
Base-Backbone interact. energy: 1.215
local terms energy: -159.247322
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -45.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -443.758405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.758405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.758405 (E_RNA)
where:
Base-Base interactions energy: -296.317
where: short stacking energy: -134.415
Base-Backbone interact. energy: -0.679
local terms energy: -146.761988
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -38.379
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -382.485980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.485980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.485980 (E_RNA)
where:
Base-Base interactions energy: -238.990
where: short stacking energy: -107.300
Base-Backbone interact. energy: -0.204
local terms energy: -143.292181
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -36.380
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -35.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -378.692503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.692503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.692503 (E_RNA)
where:
Base-Base interactions energy: -239.703
where: short stacking energy: -114.290
Base-Backbone interact. energy: -0.136
local terms energy: -138.854071
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -35.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -376.730574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.730574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.730574 (E_RNA)
where:
Base-Base interactions energy: -246.819
where: short stacking energy: -106.449
Base-Backbone interact. energy: 0.011
local terms energy: -129.923328
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -27.433
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -138.236393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.236393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.236393 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.559
local terms energy: -95.285259
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -127.843593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.843593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.843593 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -39.060
Base-Backbone interact. energy: 5.371
local terms energy: -89.146598
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: 10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -522.062044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.062044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.062044 (E_RNA)
where:
Base-Base interactions energy: -352.943
where: short stacking energy: -157.104
Base-Backbone interact. energy: -0.029
local terms energy: -169.090203
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -50.030
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: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -521.543744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.543744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.543744 (E_RNA)
where:
Base-Base interactions energy: -354.290
where: short stacking energy: -150.198
Base-Backbone interact. energy: -0.803
local terms energy: -166.450497
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -46.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -507.434470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.434470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.434470 (E_RNA)
where:
Base-Base interactions energy: -344.887
where: short stacking energy: -138.327
Base-Backbone interact. energy: -0.523
local terms energy: -162.024766
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -505.141067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.141067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.141067 (E_RNA)
where:
Base-Base interactions energy: -341.518
where: short stacking energy: -146.664
Base-Backbone interact. energy: -0.309
local terms energy: -163.314878
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -46.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -402.744146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.744146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.744146 (E_RNA)
where:
Base-Base interactions energy: -260.436
where: short stacking energy: -117.920
Base-Backbone interact. energy: -0.645
local terms energy: -141.663403
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -34.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -414.209851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.209851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.209851 (E_RNA)
where:
Base-Base interactions energy: -271.048
where: short stacking energy: -127.677
Base-Backbone interact. energy: -0.692
local terms energy: -142.470076
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -40.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -378.973279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.973279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.973279 (E_RNA)
where:
Base-Base interactions energy: -243.805
where: short stacking energy: -111.582
Base-Backbone interact. energy: -0.461
local terms energy: -134.707420
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -30.223
flat angles C4'-P-C4' energy: -28.444
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -36.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -354.186478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.186478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.186478 (E_RNA)
where:
Base-Base interactions energy: -210.628
where: short stacking energy: -96.280
Base-Backbone interact. energy: -0.746
local terms energy: -142.812838
where:
bonds (distance) C4'-P energy: -30.743
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -34.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -143.366994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.366994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.366994 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.403
local terms energy: -102.036269
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -142.041042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.041042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.041042 (E_RNA)
where:
Base-Base interactions energy: -50.001
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.338
local terms energy: -91.702467
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: 0.669
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: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -525.259863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.259863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.259863 (E_RNA)
where:
Base-Base interactions energy: -358.123
where: short stacking energy: -151.438
Base-Backbone interact. energy: -0.113
local terms energy: -167.023998
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -34.206
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -43.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -522.570249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.570249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.570249 (E_RNA)
where:
Base-Base interactions energy: -356.926
where: short stacking energy: -155.070
Base-Backbone interact. energy: -0.030
local terms energy: -165.614353
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -47.546
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: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -509.789579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.789579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.789579 (E_RNA)
where:
Base-Base interactions energy: -350.023
where: short stacking energy: -161.646
Base-Backbone interact. energy: -0.166
local terms energy: -159.600366
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -36.091
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -47.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -503.411224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.411224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.411224 (E_RNA)
where:
Base-Base interactions energy: -333.398
where: short stacking energy: -137.982
Base-Backbone interact. energy: -0.332
local terms energy: -169.681301
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -43.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -412.650806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.650806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.650806 (E_RNA)
where:
Base-Base interactions energy: -265.851
where: short stacking energy: -131.589
Base-Backbone interact. energy: 0.399
local terms energy: -147.198320
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -37.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -396.083634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.083634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.083634 (E_RNA)
where:
Base-Base interactions energy: -266.313
where: short stacking energy: -116.541
Base-Backbone interact. energy: -0.238
local terms energy: -129.532657
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -37.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -394.375448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.375448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.375448 (E_RNA)
where:
Base-Base interactions energy: -255.407
where: short stacking energy: -106.605
Base-Backbone interact. energy: -1.088
local terms energy: -137.880400
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -27.587
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: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -355.179942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.179942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.179942 (E_RNA)
where:
Base-Base interactions energy: -234.135
where: short stacking energy: -108.234
Base-Backbone interact. energy: 2.724
local terms energy: -123.769324
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -152.336486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.336486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.336486 (E_RNA)
where:
Base-Base interactions energy: -45.299
where: short stacking energy: -41.828
Base-Backbone interact. energy: 0.274
local terms energy: -107.311339
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -143.502440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.502440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.502440 (E_RNA)
where:
Base-Base interactions energy: -47.160
where: short stacking energy: -46.347
Base-Backbone interact. energy: -1.056
local terms energy: -95.286209
where:
bonds (distance) C4'-P energy: -26.795
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: 3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -527.438349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.438349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.438349 (E_RNA)
where:
Base-Base interactions energy: -362.242
where: short stacking energy: -141.588
Base-Backbone interact. energy: -0.067
local terms energy: -165.129430
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -46.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -511.607897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.607897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.607897 (E_RNA)
where:
Base-Base interactions energy: -343.710
where: short stacking energy: -140.294
Base-Backbone interact. energy: -0.077
local terms energy: -167.820380
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -46.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -503.330469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.330469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.330469 (E_RNA)
where:
Base-Base interactions energy: -344.308
where: short stacking energy: -137.453
Base-Backbone interact. energy: -1.259
local terms energy: -157.764335
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -43.199
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: 318
Temperature: 1.050000
Total energy: -497.416805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.416805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.416805 (E_RNA)
where:
Base-Base interactions energy: -355.492
where: short stacking energy: -147.640
Base-Backbone interact. energy: -0.120
local terms energy: -141.804663
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -46.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -430.013191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.013191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.013191 (E_RNA)
where:
Base-Base interactions energy: -276.601
where: short stacking energy: -137.220
Base-Backbone interact. energy: 4.000
local terms energy: -157.412376
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: -39.809
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: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -380.865249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.865249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.865249 (E_RNA)
where:
Base-Base interactions energy: -251.414
where: short stacking energy: -116.161
Base-Backbone interact. energy: -0.235
local terms energy: -129.216603
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -27.287
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -33.372
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: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -396.151304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.151304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.151304 (E_RNA)
where:
Base-Base interactions energy: -264.347
where: short stacking energy: -107.652
Base-Backbone interact. energy: -0.568
local terms energy: -131.236989
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -343.686465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.686465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.686465 (E_RNA)
where:
Base-Base interactions energy: -215.133
where: short stacking energy: -96.274
Base-Backbone interact. energy: -0.290
local terms energy: -128.263291
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -26.526
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: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -142.210950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.210950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.210950 (E_RNA)
where:
Base-Base interactions energy: -57.387
where: short stacking energy: -57.205
Base-Backbone interact. energy: -0.360
local terms energy: -84.463291
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -141.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.689685 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -29.241
Base-Backbone interact. energy: -0.878
local terms energy: -92.110218
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -25.804
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: 4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -524.752975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.752975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.752975 (E_RNA)
where:
Base-Base interactions energy: -368.451
where: short stacking energy: -149.442
Base-Backbone interact. energy: -0.012
local terms energy: -156.290809
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -515.131761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.131761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.131761 (E_RNA)
where:
Base-Base interactions energy: -345.875
where: short stacking energy: -147.627
Base-Backbone interact. energy: -0.115
local terms energy: -169.142019
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -48.533
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: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -503.841015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.841015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.841015 (E_RNA)
where:
Base-Base interactions energy: -343.776
where: short stacking energy: -152.239
Base-Backbone interact. energy: -0.870
local terms energy: -159.194819
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -41.309
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -512.928533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.928533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.928533 (E_RNA)
where:
Base-Base interactions energy: -351.734
where: short stacking energy: -150.116
Base-Backbone interact. energy: -0.150
local terms energy: -161.044609
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -45.465
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: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -396.884845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.884845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.884845 (E_RNA)
where:
Base-Base interactions energy: -264.756
where: short stacking energy: -120.264
Base-Backbone interact. energy: 0.856
local terms energy: -132.984812
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -18.529
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: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -406.500127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.500127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.500127 (E_RNA)
where:
Base-Base interactions energy: -273.440
where: short stacking energy: -116.637
Base-Backbone interact. energy: -0.929
local terms energy: -132.131693
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -377.124965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.124965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.124965 (E_RNA)
where:
Base-Base interactions energy: -248.644
where: short stacking energy: -116.191
Base-Backbone interact. energy: -0.077
local terms energy: -128.403698
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -356.021616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.021616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.021616 (E_RNA)
where:
Base-Base interactions energy: -226.751
where: short stacking energy: -96.186
Base-Backbone interact. energy: -0.116
local terms energy: -129.154791
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -16.535
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: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -148.789556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.789556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.789556 (E_RNA)
where:
Base-Base interactions energy: -51.893
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.284
local terms energy: -96.613311
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -141.905743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.905743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.905743 (E_RNA)
where:
Base-Base interactions energy: -48.160
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.443
local terms energy: -93.303216
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -520.099875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.099875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.099875 (E_RNA)
where:
Base-Base interactions energy: -351.948
where: short stacking energy: -156.383
Base-Backbone interact. energy: -0.116
local terms energy: -168.035999
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -39.042
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -48.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -520.650017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.650017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.650017 (E_RNA)
where:
Base-Base interactions energy: -356.921
where: short stacking energy: -146.924
Base-Backbone interact. energy: -0.128
local terms energy: -163.601088
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -43.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -509.819084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.819084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.819084 (E_RNA)
where:
Base-Base interactions energy: -355.736
where: short stacking energy: -147.043
Base-Backbone interact. energy: -0.372
local terms energy: -153.710209
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -42.137
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: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -494.867059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.867059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.867059 (E_RNA)
where:
Base-Base interactions energy: -353.427
where: short stacking energy: -139.388
Base-Backbone interact. energy: -0.102
local terms energy: -141.337988
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -41.614
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -398.532106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.532106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.532106 (E_RNA)
where:
Base-Base interactions energy: -255.415
where: short stacking energy: -115.760
Base-Backbone interact. energy: -0.434
local terms energy: -142.683116
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -415.850999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.850999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.850999 (E_RNA)
where:
Base-Base interactions energy: -274.624
where: short stacking energy: -119.905
Base-Backbone interact. energy: 0.009
local terms energy: -141.236557
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -21.295
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: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -362.092762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.092762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.092762 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -102.582
Base-Backbone interact. energy: 0.521
local terms energy: -129.816913
where:
bonds (distance) C4'-P energy: -30.841
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -363.753879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.753879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.753879 (E_RNA)
where:
Base-Base interactions energy: -224.602
where: short stacking energy: -101.547
Base-Backbone interact. energy: -0.515
local terms energy: -138.636652
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -21.618
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: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -212.739296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.739296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.739296 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.448
local terms energy: -85.664881
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: 3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -136.676143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.676143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.676143 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -40.254
Base-Backbone interact. energy: 0.543
local terms energy: -94.018436
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -522.829378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.829378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.829378 (E_RNA)
where:
Base-Base interactions energy: -352.820
where: short stacking energy: -150.276
Base-Backbone interact. energy: 0.706
local terms energy: -170.714478
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -44.689
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -511.946783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.946783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.946783 (E_RNA)
where:
Base-Base interactions energy: -349.272
where: short stacking energy: -144.832
Base-Backbone interact. energy: -0.809
local terms energy: -161.865391
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -43.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -515.729600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.729600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.729600 (E_RNA)
where:
Base-Base interactions energy: -352.211
where: short stacking energy: -148.184
Base-Backbone interact. energy: -0.107
local terms energy: -163.410970
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -491.176900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.176900 (E_RNA)
where:
Base-Base interactions energy: -331.644
where: short stacking energy: -144.050
Base-Backbone interact. energy: -0.051
local terms energy: -159.482000
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -347.369711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.369711 (E_RNA)
where:
Base-Base interactions energy: -210.563
where: short stacking energy: -102.693
Base-Backbone interact. energy: -0.202
local terms energy: -136.604805
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -30.837
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: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -403.780868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.780868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.780868 (E_RNA)
where:
Base-Base interactions energy: -262.073
where: short stacking energy: -114.639
Base-Backbone interact. energy: -0.642
local terms energy: -141.066187
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -356.336302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.336302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.336302 (E_RNA)
where:
Base-Base interactions energy: -222.228
where: short stacking energy: -106.469
Base-Backbone interact. energy: -0.151
local terms energy: -133.957266
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -35.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -338.737386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.737386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.737386 (E_RNA)
where:
Base-Base interactions energy: -215.349
where: short stacking energy: -104.616
Base-Backbone interact. energy: -0.840
local terms energy: -122.547951
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -27.560
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -186.737102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.737102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.737102 (E_RNA)
where:
Base-Base interactions energy: -85.979
where: short stacking energy: -53.057
Base-Backbone interact. energy: 1.274
local terms energy: -102.032650
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -143.706248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.706248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.706248 (E_RNA)
where:
Base-Base interactions energy: -39.830
where: short stacking energy: -38.842
Base-Backbone interact. energy: -2.320
local terms energy: -101.556275
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -532.568182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.568182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.568182 (E_RNA)
where:
Base-Base interactions energy: -365.403
where: short stacking energy: -157.039
Base-Backbone interact. energy: -0.144
local terms energy: -167.021178
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -51.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -511.100157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.100157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.100157 (E_RNA)
where:
Base-Base interactions energy: -347.505
where: short stacking energy: -150.617
Base-Backbone interact. energy: -0.643
local terms energy: -162.952191
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -31.731
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -46.141
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: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -506.938486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.938486 (E_RNA)
where:
Base-Base interactions energy: -352.174
where: short stacking energy: -153.763
Base-Backbone interact. energy: -0.089
local terms energy: -154.675566
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -49.047
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: 322
Temperature: 1.050000
Total energy: -486.673213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.673213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.673213 (E_RNA)
where:
Base-Base interactions energy: -320.323
where: short stacking energy: -131.995
Base-Backbone interact. energy: -0.215
local terms energy: -166.135491
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -43.793
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -414.134559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.134559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.134559 (E_RNA)
where:
Base-Base interactions energy: -274.541
where: short stacking energy: -117.734
Base-Backbone interact. energy: 0.509
local terms energy: -140.103008
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -34.545
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: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -367.722738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.722738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.722738 (E_RNA)
where:
Base-Base interactions energy: -244.639
where: short stacking energy: -104.323
Base-Backbone interact. energy: -0.113
local terms energy: -122.970917
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -31.240
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -31.558
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: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -375.950629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.950629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.950629 (E_RNA)
where:
Base-Base interactions energy: -237.400
where: short stacking energy: -112.828
Base-Backbone interact. energy: -0.168
local terms energy: -138.383070
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -37.404
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: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -320.112320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.112320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.112320 (E_RNA)
where:
Base-Base interactions energy: -199.182
where: short stacking energy: -86.511
Base-Backbone interact. energy: -0.642
local terms energy: -120.288490
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -24.250
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: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -152.948109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.948109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.948109 (E_RNA)
where:
Base-Base interactions energy: -55.312
where: short stacking energy: -42.208
Base-Backbone interact. energy: -2.072
local terms energy: -95.564945
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -129.702140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.702140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.702140 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.552
local terms energy: -95.729236
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -17.092
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: 323
Temperature: 0.900000
Total energy: -531.588725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.588725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.588725 (E_RNA)
where:
Base-Base interactions energy: -361.895
where: short stacking energy: -152.131
Base-Backbone interact. energy: -0.041
local terms energy: -169.652427
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -45.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -507.243997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.243997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.243997 (E_RNA)
where:
Base-Base interactions energy: -343.873
where: short stacking energy: -144.916
Base-Backbone interact. energy: -0.526
local terms energy: -162.844526
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -42.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -513.116449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.116449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.116449 (E_RNA)
where:
Base-Base interactions energy: -351.939
where: short stacking energy: -157.430
Base-Backbone interact. energy: -0.124
local terms energy: -161.053687
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -48.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -474.194212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.194212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.194212 (E_RNA)
where:
Base-Base interactions energy: -323.307
where: short stacking energy: -145.709
Base-Backbone interact. energy: -0.700
local terms energy: -150.187600
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -424.738931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.738931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.738931 (E_RNA)
where:
Base-Base interactions energy: -296.321
where: short stacking energy: -130.352
Base-Backbone interact. energy: -0.454
local terms energy: -127.964073
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -39.897
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: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -369.671807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.671807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.671807 (E_RNA)
where:
Base-Base interactions energy: -240.430
where: short stacking energy: -105.571
Base-Backbone interact. energy: -0.345
local terms energy: -128.897060
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -11.605
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: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -374.363564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.363564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.363564 (E_RNA)
where:
Base-Base interactions energy: -229.765
where: short stacking energy: -110.870
Base-Backbone interact. energy: -0.038
local terms energy: -144.561168
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -19.643
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: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -326.556572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.556572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.556572 (E_RNA)
where:
Base-Base interactions energy: -208.403
where: short stacking energy: -95.886
Base-Backbone interact. energy: -0.484
local terms energy: -117.669885
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -149.540265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.540265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.540265 (E_RNA)
where:
Base-Base interactions energy: -53.586
where: short stacking energy: -47.136
Base-Backbone interact. energy: -0.699
local terms energy: -95.255757
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -142.037584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.037584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.037584 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.270
local terms energy: -91.761510
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -15.845
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: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -528.145615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.145615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.145615 (E_RNA)
where:
Base-Base interactions energy: -357.108
where: short stacking energy: -153.743
Base-Backbone interact. energy: -0.113
local terms energy: -170.924798
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -35.275
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -45.748
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: 324
Temperature: 0.950000
Total energy: -521.987033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.987033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.987033 (E_RNA)
where:
Base-Base interactions energy: -355.482
where: short stacking energy: -152.418
Base-Backbone interact. energy: -0.046
local terms energy: -166.459041
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -45.101
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: 324
Temperature: 1.000000
Total energy: -494.493154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.493154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.493154 (E_RNA)
where:
Base-Base interactions energy: -341.013
where: short stacking energy: -141.411
Base-Backbone interact. energy: 0.134
local terms energy: -153.613606
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -499.010888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.010888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.010888 (E_RNA)
where:
Base-Base interactions energy: -346.889
where: short stacking energy: -136.222
Base-Backbone interact. energy: -0.679
local terms energy: -151.442515
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -26.821
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -45.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -406.051603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.051603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.051603 (E_RNA)
where:
Base-Base interactions energy: -260.493
where: short stacking energy: -116.854
Base-Backbone interact. energy: -0.722
local terms energy: -144.837271
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -36.421
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: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -383.152083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.152083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.152083 (E_RNA)
where:
Base-Base interactions energy: -249.317
where: short stacking energy: -117.529
Base-Backbone interact. energy: -0.326
local terms energy: -133.508521
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -33.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -353.372007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.372007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.372007 (E_RNA)
where:
Base-Base interactions energy: -221.517
where: short stacking energy: -84.398
Base-Backbone interact. energy: 1.018
local terms energy: -132.872931
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -347.096874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.096874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.096874 (E_RNA)
where:
Base-Base interactions energy: -219.952
where: short stacking energy: -105.402
Base-Backbone interact. energy: -0.484
local terms energy: -126.660121
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -25.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -160.645144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.645144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.645144 (E_RNA)
where:
Base-Base interactions energy: -66.524
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.641
local terms energy: -93.480124
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: 10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -151.485276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.485276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.485276 (E_RNA)
where:
Base-Base interactions energy: -58.283
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.245
local terms energy: -92.956962
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -533.229767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.229767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.229767 (E_RNA)
where:
Base-Base interactions energy: -366.905
where: short stacking energy: -161.893
Base-Backbone interact. energy: 0.029
local terms energy: -166.354321
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -48.998
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: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -497.772578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.772578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.772578 (E_RNA)
where:
Base-Base interactions energy: -359.584
where: short stacking energy: -144.029
Base-Backbone interact. energy: -0.127
local terms energy: -138.061685
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -524.672043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.672043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.672043 (E_RNA)
where:
Base-Base interactions energy: -370.969
where: short stacking energy: -152.325
Base-Backbone interact. energy: -0.266
local terms energy: -153.436976
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -43.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -495.477750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.477750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.477750 (E_RNA)
where:
Base-Base interactions energy: -335.074
where: short stacking energy: -138.710
Base-Backbone interact. energy: 0.110
local terms energy: -160.514614
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -42.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -430.355757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.355757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.355757 (E_RNA)
where:
Base-Base interactions energy: -284.130
where: short stacking energy: -114.381
Base-Backbone interact. energy: -0.452
local terms energy: -145.773918
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -369.024618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.024618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.024618 (E_RNA)
where:
Base-Base interactions energy: -229.259
where: short stacking energy: -109.642
Base-Backbone interact. energy: 0.472
local terms energy: -140.237180
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -19.598
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -361.181938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.181938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.181938 (E_RNA)
where:
Base-Base interactions energy: -215.779
where: short stacking energy: -97.969
Base-Backbone interact. energy: -0.491
local terms energy: -144.911440
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -28.413
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: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -348.066070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.066070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.066070 (E_RNA)
where:
Base-Base interactions energy: -217.772
where: short stacking energy: -105.716
Base-Backbone interact. energy: -0.581
local terms energy: -129.712871
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -24.478
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -31.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -160.412217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.412217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.412217 (E_RNA)
where:
Base-Base interactions energy: -75.197
where: short stacking energy: -55.904
Base-Backbone interact. energy: 1.490
local terms energy: -86.705506
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -140.718266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.718266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.718266 (E_RNA)
where:
Base-Base interactions energy: -67.989
where: short stacking energy: -37.461
Base-Backbone interact. energy: 1.584
local terms energy: -74.313014
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -16.886
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: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -529.434725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.434725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.434725 (E_RNA)
where:
Base-Base interactions energy: -365.418
where: short stacking energy: -159.725
Base-Backbone interact. energy: -0.713
local terms energy: -163.304100
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -47.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -513.292836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.292836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.292836 (E_RNA)
where:
Base-Base interactions energy: -349.394
where: short stacking energy: -143.668
Base-Backbone interact. energy: -0.090
local terms energy: -163.808852
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -510.725393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.725393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.725393 (E_RNA)
where:
Base-Base interactions energy: -358.200
where: short stacking energy: -153.648
Base-Backbone interact. energy: -0.029
local terms energy: -152.496747
where:
bonds (distance) C4'-P energy: -29.694
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -50.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -503.456727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.456727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.456727 (E_RNA)
where:
Base-Base interactions energy: -340.902
where: short stacking energy: -147.620
Base-Backbone interact. energy: -0.040
local terms energy: -162.514420
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -419.806726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.806726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.806726 (E_RNA)
where:
Base-Base interactions energy: -293.016
where: short stacking energy: -119.250
Base-Backbone interact. energy: -0.448
local terms energy: -126.342966
where:
bonds (distance) C4'-P energy: -29.813
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -30.527
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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -350.778402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.778402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.778402 (E_RNA)
where:
Base-Base interactions energy: -220.914
where: short stacking energy: -104.596
Base-Backbone interact. energy: -0.475
local terms energy: -129.388824
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -29.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -368.975899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.975899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.975899 (E_RNA)
where:
Base-Base interactions energy: -240.458
where: short stacking energy: -108.363
Base-Backbone interact. energy: -0.109
local terms energy: -128.408770
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -30.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -365.427728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.427728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.427728 (E_RNA)
where:
Base-Base interactions energy: -237.855
where: short stacking energy: -117.946
Base-Backbone interact. energy: -0.145
local terms energy: -127.428509
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -30.569
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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -157.114870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.114870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.114870 (E_RNA)
where:
Base-Base interactions energy: -62.056
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.524
local terms energy: -94.535643
where:
bonds (distance) C4'-P energy: -25.378
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -144.264345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.264345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.264345 (E_RNA)
where:
Base-Base interactions energy: -56.805
where: short stacking energy: -43.289
Base-Backbone interact. energy: 3.739
local terms energy: -91.197825
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -14.804
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: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -527.514308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.514308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.514308 (E_RNA)
where:
Base-Base interactions energy: -368.265
where: short stacking energy: -151.192
Base-Backbone interact. energy: -0.709
local terms energy: -158.540226
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -44.694
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: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -523.187941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.187941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.187941 (E_RNA)
where:
Base-Base interactions energy: -362.645
where: short stacking energy: -151.496
Base-Backbone interact. energy: -0.703
local terms energy: -159.839681
where:
bonds (distance) C4'-P energy: -35.875
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -46.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -491.673224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.673224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.673224 (E_RNA)
where:
Base-Base interactions energy: -345.578
where: short stacking energy: -132.007
Base-Backbone interact. energy: -0.558
local terms energy: -145.536964
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -38.939
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -517.998424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.998424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.998424 (E_RNA)
where:
Base-Base interactions energy: -363.032
where: short stacking energy: -153.895
Base-Backbone interact. energy: -0.046
local terms energy: -154.919709
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -44.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -414.204792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.204792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.204792 (E_RNA)
where:
Base-Base interactions energy: -273.803
where: short stacking energy: -112.689
Base-Backbone interact. energy: 1.557
local terms energy: -141.958710
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -30.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -378.949840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.949840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.949840 (E_RNA)
where:
Base-Base interactions energy: -239.828
where: short stacking energy: -112.138
Base-Backbone interact. energy: -0.115
local terms energy: -139.006657
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -29.470
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: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -358.550669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.550669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.550669 (E_RNA)
where:
Base-Base interactions energy: -228.566
where: short stacking energy: -103.440
Base-Backbone interact. energy: -0.207
local terms energy: -129.777957
where:
bonds (distance) C4'-P energy: -31.610
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -16.015
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -327.097180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.097180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.097180 (E_RNA)
where:
Base-Base interactions energy: -212.512
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.227
local terms energy: -114.357358
where:
bonds (distance) C4'-P energy: -25.039
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -8.493
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -159.268743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.268743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.268743 (E_RNA)
where:
Base-Base interactions energy: -54.373
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.531
local terms energy: -104.364478
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -144.629377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.629377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.629377 (E_RNA)
where:
Base-Base interactions energy: -53.536
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.167
local terms energy: -90.926373
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -532.146931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.146931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.146931 (E_RNA)
where:
Base-Base interactions energy: -364.631
where: short stacking energy: -153.052
Base-Backbone interact. energy: -0.009
local terms energy: -167.506980
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -47.172
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: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -522.440157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.440157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.440157 (E_RNA)
where:
Base-Base interactions energy: -368.390
where: short stacking energy: -149.149
Base-Backbone interact. energy: -0.145
local terms energy: -153.904991
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -45.670
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: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -510.692493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.692493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.692493 (E_RNA)
where:
Base-Base interactions energy: -350.794
where: short stacking energy: -143.540
Base-Backbone interact. energy: -0.087
local terms energy: -159.810905
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -46.574
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: 328
Temperature: 1.050000
Total energy: -494.881025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.881025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.881025 (E_RNA)
where:
Base-Base interactions energy: -343.580
where: short stacking energy: -128.582
Base-Backbone interact. energy: -0.441
local terms energy: -150.860207
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -35.863
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: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -398.900456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.900456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.900456 (E_RNA)
where:
Base-Base interactions energy: -265.873
where: short stacking energy: -121.277
Base-Backbone interact. energy: 0.784
local terms energy: -133.811358
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -32.706
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -402.700084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.700084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.700084 (E_RNA)
where:
Base-Base interactions energy: -266.344
where: short stacking energy: -118.453
Base-Backbone interact. energy: -1.020
local terms energy: -135.336906
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -32.730
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: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -365.622560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.622560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.622560 (E_RNA)
where:
Base-Base interactions energy: -233.531
where: short stacking energy: -110.242
Base-Backbone interact. energy: -0.100
local terms energy: -131.991739
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -309.759179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.759179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.759179 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -86.880
Base-Backbone interact. energy: -0.467
local terms energy: -119.955674
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -155.574416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.574416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.574416 (E_RNA)
where:
Base-Base interactions energy: -66.053
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.707
local terms energy: -88.814251
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -3.075
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -150.442702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.442702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.442702 (E_RNA)
where:
Base-Base interactions energy: -49.792
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.963
local terms energy: -99.688137
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -16.353
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: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -533.009924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.009924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.009924 (E_RNA)
where:
Base-Base interactions energy: -360.015
where: short stacking energy: -150.616
Base-Backbone interact. energy: -0.527
local terms energy: -172.468144
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -45.730
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: 329
Temperature: 0.950000
Total energy: -522.789341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.789341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.789341 (E_RNA)
where:
Base-Base interactions energy: -346.954
where: short stacking energy: -150.350
Base-Backbone interact. energy: 0.165
local terms energy: -176.000303
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -48.820
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: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -510.469769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.469769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.469769 (E_RNA)
where:
Base-Base interactions energy: -354.957
where: short stacking energy: -144.353
Base-Backbone interact. energy: -0.442
local terms energy: -155.070436
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -45.786
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: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -506.581027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.581027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.581027 (E_RNA)
where:
Base-Base interactions energy: -339.793
where: short stacking energy: -136.055
Base-Backbone interact. energy: -0.889
local terms energy: -165.898864
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -45.247
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -385.229578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.229578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.229578 (E_RNA)
where:
Base-Base interactions energy: -243.092
where: short stacking energy: -101.289
Base-Backbone interact. energy: -0.190
local terms energy: -141.947428
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -32.254
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -402.288570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.288570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.288570 (E_RNA)
where:
Base-Base interactions energy: -252.255
where: short stacking energy: -128.158
Base-Backbone interact. energy: -0.061
local terms energy: -149.973124
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -41.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -375.924864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.924864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.924864 (E_RNA)
where:
Base-Base interactions energy: -247.452
where: short stacking energy: -116.717
Base-Backbone interact. energy: -0.033
local terms energy: -128.440328
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -21.703
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -316.460267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.460267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.460267 (E_RNA)
where:
Base-Base interactions energy: -202.935
where: short stacking energy: -91.026
Base-Backbone interact. energy: -0.641
local terms energy: -112.883610
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -24.897
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -148.383151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.383151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.383151 (E_RNA)
where:
Base-Base interactions energy: -66.316
where: short stacking energy: -45.949
Base-Backbone interact. energy: 0.416
local terms energy: -82.483001
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -134.999684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.999684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.999684 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.529
local terms energy: -94.961968
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: 1.977
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: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -526.406382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.406382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.406382 (E_RNA)
where:
Base-Base interactions energy: -368.355
where: short stacking energy: -152.361
Base-Backbone interact. energy: -0.482
local terms energy: -157.568819
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -48.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -526.178681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.178681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.178681 (E_RNA)
where:
Base-Base interactions energy: -354.283
where: short stacking energy: -161.246
Base-Backbone interact. energy: 0.008
local terms energy: -171.903118
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -49.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -531.897169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.897169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.897169 (E_RNA)
where:
Base-Base interactions energy: -359.710
where: short stacking energy: -155.342
Base-Backbone interact. energy: -1.270
local terms energy: -170.917251
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -26.458
tors. eta vs tors. theta energy: -44.105
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: 330
Temperature: 1.050000
Total energy: -498.564117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.564117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.564117 (E_RNA)
where:
Base-Base interactions energy: -345.111
where: short stacking energy: -139.666
Base-Backbone interact. energy: 1.667
local terms energy: -155.120301
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -45.561
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: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -399.039691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.039691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.039691 (E_RNA)
where:
Base-Base interactions energy: -266.272
where: short stacking energy: -124.000
Base-Backbone interact. energy: 0.899
local terms energy: -133.667156
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -35.736
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: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -383.678248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.678248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.678248 (E_RNA)
where:
Base-Base interactions energy: -249.565
where: short stacking energy: -114.299
Base-Backbone interact. energy: -0.234
local terms energy: -133.879245
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -31.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -367.925585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.925585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.925585 (E_RNA)
where:
Base-Base interactions energy: -230.576
where: short stacking energy: -110.740
Base-Backbone interact. energy: -0.096
local terms energy: -137.253000
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -37.977
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: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -321.110718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.110718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.110718 (E_RNA)
where:
Base-Base interactions energy: -198.089
where: short stacking energy: -88.739
Base-Backbone interact. energy: -1.320
local terms energy: -121.700833
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -24.580
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: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -157.384979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.384979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.384979 (E_RNA)
where:
Base-Base interactions energy: -53.592
where: short stacking energy: -43.750
Base-Backbone interact. energy: -0.342
local terms energy: -103.451279
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -0.604
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -157.562246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.562246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.562246 (E_RNA)
where:
Base-Base interactions energy: -65.386
where: short stacking energy: -36.979
Base-Backbone interact. energy: 0.895
local terms energy: -93.071381
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: 1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -529.201145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.201145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.201145 (E_RNA)
where:
Base-Base interactions energy: -350.069
where: short stacking energy: -155.908
Base-Backbone interact. energy: -0.394
local terms energy: -178.738903
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -47.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -529.148447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.148447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.148447 (E_RNA)
where:
Base-Base interactions energy: -360.588
where: short stacking energy: -150.117
Base-Backbone interact. energy: -0.786
local terms energy: -167.774841
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -41.334
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -514.422880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.422880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.422880 (E_RNA)
where:
Base-Base interactions energy: -349.186
where: short stacking energy: -148.529
Base-Backbone interact. energy: -0.106
local terms energy: -165.131330
where:
bonds (distance) C4'-P energy: -33.138
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -47.831
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: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -504.696686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.696686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.696686 (E_RNA)
where:
Base-Base interactions energy: -352.077
where: short stacking energy: -149.535
Base-Backbone interact. energy: -0.478
local terms energy: -152.141532
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -39.022
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: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -397.106793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.106793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.106793 (E_RNA)
where:
Base-Base interactions energy: -261.402
where: short stacking energy: -125.800
Base-Backbone interact. energy: -0.642
local terms energy: -135.062261
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -35.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -401.912918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.912918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.912918 (E_RNA)
where:
Base-Base interactions energy: -277.121
where: short stacking energy: -127.003
Base-Backbone interact. energy: -0.962
local terms energy: -123.830016
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -21.096
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: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -397.463253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.463253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.463253 (E_RNA)
where:
Base-Base interactions energy: -256.305
where: short stacking energy: -114.462
Base-Backbone interact. energy: -0.290
local terms energy: -140.868698
where:
bonds (distance) C4'-P energy: -24.173
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -17.349
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: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -352.957302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.957302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.957302 (E_RNA)
where:
Base-Base interactions energy: -221.863
where: short stacking energy: -108.010
Base-Backbone interact. energy: -0.402
local terms energy: -130.692813
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -32.738
flat angles P-C4'-P energy: -16.077
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: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -193.570233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.570233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.570233 (E_RNA)
where:
Base-Base interactions energy: -88.290
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.476
local terms energy: -104.804308
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -151.676894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.676894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.676894 (E_RNA)
where:
Base-Base interactions energy: -58.849
where: short stacking energy: -40.800
Base-Backbone interact. energy: 0.531
local terms energy: -93.358906
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -529.011308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.011308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.011308 (E_RNA)
where:
Base-Base interactions energy: -373.102
where: short stacking energy: -149.485
Base-Backbone interact. energy: -0.348
local terms energy: -155.560891
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -40.342
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: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -518.833683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.833683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.833683 (E_RNA)
where:
Base-Base interactions energy: -360.714
where: short stacking energy: -143.206
Base-Backbone interact. energy: -0.096
local terms energy: -158.023618
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -513.536766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.536766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.536766 (E_RNA)
where:
Base-Base interactions energy: -352.292
where: short stacking energy: -149.491
Base-Backbone interact. energy: -1.281
local terms energy: -159.963892
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -38.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -496.968618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.968618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.968618 (E_RNA)
where:
Base-Base interactions energy: -334.594
where: short stacking energy: -142.498
Base-Backbone interact. energy: -0.941
local terms energy: -161.433405
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -45.657
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: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -401.411116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.411116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.411116 (E_RNA)
where:
Base-Base interactions energy: -269.833
where: short stacking energy: -113.037
Base-Backbone interact. energy: 0.121
local terms energy: -131.699275
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -32.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -424.732284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.732284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.732284 (E_RNA)
where:
Base-Base interactions energy: -281.312
where: short stacking energy: -129.086
Base-Backbone interact. energy: -0.044
local terms energy: -143.375760
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -41.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -418.335121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.335121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.335121 (E_RNA)
where:
Base-Base interactions energy: -280.519
where: short stacking energy: -123.725
Base-Backbone interact. energy: -0.058
local terms energy: -137.758320
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -36.655
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -301.383119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.383119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.383119 (E_RNA)
where:
Base-Base interactions energy: -186.461
where: short stacking energy: -84.036
Base-Backbone interact. energy: -0.304
local terms energy: -114.617462
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -23.916
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: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -160.032975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.032975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.032975 (E_RNA)
where:
Base-Base interactions energy: -74.100
where: short stacking energy: -40.894
Base-Backbone interact. energy: -0.152
local terms energy: -85.780951
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -138.520145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.520145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.520145 (E_RNA)
where:
Base-Base interactions energy: -56.625
where: short stacking energy: -45.037
Base-Backbone interact. energy: -0.819
local terms energy: -81.076319
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: 3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -536.443112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.443112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.443112 (E_RNA)
where:
Base-Base interactions energy: -364.784
where: short stacking energy: -150.774
Base-Backbone interact. energy: 0.527
local terms energy: -172.185987
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -33.213
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -534.088914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.088914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.088914 (E_RNA)
where:
Base-Base interactions energy: -364.604
where: short stacking energy: -154.474
Base-Backbone interact. energy: -0.221
local terms energy: -169.264290
where:
bonds (distance) C4'-P energy: -32.811
bonds (distance) P-C4' energy: -29.780
flat angles C4'-P-C4' energy: -35.206
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -47.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -499.586701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.586701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.586701 (E_RNA)
where:
Base-Base interactions energy: -354.459
where: short stacking energy: -144.174
Base-Backbone interact. energy: -0.859
local terms energy: -144.269378
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -18.417
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: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -508.064471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.064471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.064471 (E_RNA)
where:
Base-Base interactions energy: -357.838
where: short stacking energy: -139.842
Base-Backbone interact. energy: 1.144
local terms energy: -151.369843
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -36.812
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -38.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -406.779704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.779704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.779704 (E_RNA)
where:
Base-Base interactions energy: -254.137
where: short stacking energy: -108.391
Base-Backbone interact. energy: -0.279
local terms energy: -152.363679
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -425.026563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.026563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.026563 (E_RNA)
where:
Base-Base interactions energy: -280.031
where: short stacking energy: -114.652
Base-Backbone interact. energy: -0.202
local terms energy: -144.794268
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -38.077
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -373.295527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.295527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.295527 (E_RNA)
where:
Base-Base interactions energy: -243.859
where: short stacking energy: -99.276
Base-Backbone interact. energy: -0.519
local terms energy: -128.917212
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -320.577340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.577340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.577340 (E_RNA)
where:
Base-Base interactions energy: -210.684
where: short stacking energy: -103.533
Base-Backbone interact. energy: -0.939
local terms energy: -108.954279
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -150.942214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.942214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.942214 (E_RNA)
where:
Base-Base interactions energy: -53.802
where: short stacking energy: -48.419
Base-Backbone interact. energy: -1.354
local terms energy: -95.786095
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -145.193786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.193786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.193786 (E_RNA)
where:
Base-Base interactions energy: -55.762
where: short stacking energy: -39.662
Base-Backbone interact. energy: 2.468
local terms energy: -91.899383
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: 7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -538.210922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.210922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.210922 (E_RNA)
where:
Base-Base interactions energy: -371.112
where: short stacking energy: -146.906
Base-Backbone interact. energy: -0.245
local terms energy: -166.853775
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -36.339
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -47.161
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -520.627858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.627858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.627858 (E_RNA)
where:
Base-Base interactions energy: -371.934
where: short stacking energy: -142.125
Base-Backbone interact. energy: -0.139
local terms energy: -148.555447
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -515.630115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.630115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.630115 (E_RNA)
where:
Base-Base interactions energy: -363.707
where: short stacking energy: -147.076
Base-Backbone interact. energy: -0.145
local terms energy: -151.778172
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -35.183
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -42.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -498.156774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.156774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.156774 (E_RNA)
where:
Base-Base interactions energy: -338.065
where: short stacking energy: -145.320
Base-Backbone interact. energy: -0.618
local terms energy: -159.473904
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -31.456
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -42.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -439.491802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.491802 (E_RNA)
where:
Base-Base interactions energy: -290.216
where: short stacking energy: -121.851
Base-Backbone interact. energy: -0.256
local terms energy: -149.019470
where:
bonds (distance) C4'-P energy: -32.117
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -40.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -379.504526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.504526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.504526 (E_RNA)
where:
Base-Base interactions energy: -242.047
where: short stacking energy: -103.990
Base-Backbone interact. energy: -0.267
local terms energy: -137.191221
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -30.343
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -369.251503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.251503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.251503 (E_RNA)
where:
Base-Base interactions energy: -236.626
where: short stacking energy: -102.479
Base-Backbone interact. energy: -0.353
local terms energy: -132.272633
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -20.609
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: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -293.031838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.031838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.031838 (E_RNA)
where:
Base-Base interactions energy: -175.705
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.340
local terms energy: -116.986445
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -157.380253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.380253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.380253 (E_RNA)
where:
Base-Base interactions energy: -56.993
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.489
local terms energy: -99.897902
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -137.321259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.321259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.321259 (E_RNA)
where:
Base-Base interactions energy: -55.045
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.140
local terms energy: -82.136491
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -13.086
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: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -538.895665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.895665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.895665 (E_RNA)
where:
Base-Base interactions energy: -372.096
where: short stacking energy: -168.699
Base-Backbone interact. energy: -0.089
local terms energy: -166.710914
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -34.335
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -51.225
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: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -509.061804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.061804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.061804 (E_RNA)
where:
Base-Base interactions energy: -346.500
where: short stacking energy: -138.419
Base-Backbone interact. energy: -0.484
local terms energy: -162.077962
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -46.038
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: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -522.553790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.553790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.553790 (E_RNA)
where:
Base-Base interactions energy: -369.420
where: short stacking energy: -143.735
Base-Backbone interact. energy: -0.710
local terms energy: -152.423598
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -42.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -509.890081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.890081 (E_RNA)
where:
Base-Base interactions energy: -359.392
where: short stacking energy: -142.215
Base-Backbone interact. energy: -0.206
local terms energy: -150.292688
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -441.219850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.219850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.219850 (E_RNA)
where:
Base-Base interactions energy: -297.883
where: short stacking energy: -135.650
Base-Backbone interact. energy: -1.186
local terms energy: -142.150712
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -37.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -389.664828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.664828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.664828 (E_RNA)
where:
Base-Base interactions energy: -240.525
where: short stacking energy: -113.211
Base-Backbone interact. energy: -0.278
local terms energy: -148.861744
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -37.674
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -336.418251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.418251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.418251 (E_RNA)
where:
Base-Base interactions energy: -216.271
where: short stacking energy: -83.793
Base-Backbone interact. energy: -0.197
local terms energy: -119.950280
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -298.119536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.119536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.119536 (E_RNA)
where:
Base-Base interactions energy: -178.398
where: short stacking energy: -87.069
Base-Backbone interact. energy: -0.249
local terms energy: -119.473199
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -169.657329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.657329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.657329 (E_RNA)
where:
Base-Base interactions energy: -77.737
where: short stacking energy: -57.546
Base-Backbone interact. energy: 3.255
local terms energy: -95.174968
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -133.724935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.724935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.724935 (E_RNA)
where:
Base-Base interactions energy: -41.543
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.668
local terms energy: -91.513743
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -16.847
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -518.818410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.818410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.818410 (E_RNA)
where:
Base-Base interactions energy: -351.507
where: short stacking energy: -144.881
Base-Backbone interact. energy: -0.128
local terms energy: -167.183760
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -46.784
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: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -528.195513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.195513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.195513 (E_RNA)
where:
Base-Base interactions energy: -362.258
where: short stacking energy: -164.903
Base-Backbone interact. energy: 0.075
local terms energy: -166.012970
where:
bonds (distance) C4'-P energy: -33.706
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -52.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -518.274551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.274551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.274551 (E_RNA)
where:
Base-Base interactions energy: -365.064
where: short stacking energy: -140.617
Base-Backbone interact. energy: -0.172
local terms energy: -153.038793
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -488.048871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.048871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.048871 (E_RNA)
where:
Base-Base interactions energy: -336.207
where: short stacking energy: -131.675
Base-Backbone interact. energy: -1.098
local terms energy: -150.743698
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -36.445
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -40.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -444.178117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.178117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.178117 (E_RNA)
where:
Base-Base interactions energy: -290.577
where: short stacking energy: -132.006
Base-Backbone interact. energy: -0.861
local terms energy: -152.739814
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -37.959
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: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -388.405712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.405712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.405712 (E_RNA)
where:
Base-Base interactions energy: -257.323
where: short stacking energy: -107.943
Base-Backbone interact. energy: -0.223
local terms energy: -130.859986
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -319.288809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.288809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.288809 (E_RNA)
where:
Base-Base interactions energy: -194.335
where: short stacking energy: -99.741
Base-Backbone interact. energy: -0.047
local terms energy: -124.906249
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -326.779288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.779288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.779288 (E_RNA)
where:
Base-Base interactions energy: -211.181
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.500
local terms energy: -115.098140
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -9.773
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: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -151.490374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.490374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.490374 (E_RNA)
where:
Base-Base interactions energy: -50.408
where: short stacking energy: -42.152
Base-Backbone interact. energy: 1.525
local terms energy: -102.606737
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -3.544
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -145.025941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.025941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.025941 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -31.089
Base-Backbone interact. energy: -1.065
local terms energy: -98.924775
where:
bonds (distance) C4'-P energy: -28.379
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -519.989138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.989138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.989138 (E_RNA)
where:
Base-Base interactions energy: -349.798
where: short stacking energy: -151.804
Base-Backbone interact. energy: -1.223
local terms energy: -168.968585
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -46.436
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: 337
Temperature: 0.950000
Total energy: -526.167025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.167025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.167025 (E_RNA)
where:
Base-Base interactions energy: -359.647
where: short stacking energy: -151.245
Base-Backbone interact. energy: 0.392
local terms energy: -166.912268
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -47.169
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: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -525.124282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.124282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.124282 (E_RNA)
where:
Base-Base interactions energy: -360.548
where: short stacking energy: -152.338
Base-Backbone interact. energy: -0.108
local terms energy: -164.468225
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -28.119
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -499.701457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.701457 (E_RNA)
where:
Base-Base interactions energy: -337.694
where: short stacking energy: -135.567
Base-Backbone interact. energy: -1.043
local terms energy: -160.964357
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -37.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -455.744913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.744913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.744913 (E_RNA)
where:
Base-Base interactions energy: -312.437
where: short stacking energy: -142.276
Base-Backbone interact. energy: 0.047
local terms energy: -143.354576
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -39.399
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: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -406.771633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.771633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.771633 (E_RNA)
where:
Base-Base interactions energy: -252.717
where: short stacking energy: -116.480
Base-Backbone interact. energy: -0.280
local terms energy: -153.774611
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -36.788
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -36.429
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: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -313.728149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.728149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.728149 (E_RNA)
where:
Base-Base interactions energy: -193.459
where: short stacking energy: -87.474
Base-Backbone interact. energy: -0.367
local terms energy: -119.901979
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -347.095447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.095447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.095447 (E_RNA)
where:
Base-Base interactions energy: -235.070
where: short stacking energy: -114.111
Base-Backbone interact. energy: -0.925
local terms energy: -111.100084
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -156.079337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.079337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.079337 (E_RNA)
where:
Base-Base interactions energy: -61.362
where: short stacking energy: -48.048
Base-Backbone interact. energy: -1.208
local terms energy: -93.508360
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -129.524799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.524799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.524799 (E_RNA)
where:
Base-Base interactions energy: -52.502
where: short stacking energy: -31.069
Base-Backbone interact. energy: 0.923
local terms energy: -77.945156
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -521.921007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.921007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.921007 (E_RNA)
where:
Base-Base interactions energy: -358.436
where: short stacking energy: -157.938
Base-Backbone interact. energy: -0.446
local terms energy: -163.039530
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -522.780825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.780825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.780825 (E_RNA)
where:
Base-Base interactions energy: -354.979
where: short stacking energy: -156.396
Base-Backbone interact. energy: -1.118
local terms energy: -166.684188
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -46.895
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: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -485.093577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.093577 (E_RNA)
where:
Base-Base interactions energy: -340.270
where: short stacking energy: -149.722
Base-Backbone interact. energy: -0.579
local terms energy: -144.245034
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -26.671
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -39.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -496.176014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.176014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.176014 (E_RNA)
where:
Base-Base interactions energy: -336.931
where: short stacking energy: -147.505
Base-Backbone interact. energy: -0.494
local terms energy: -158.750454
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -46.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -439.611103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.611103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.611103 (E_RNA)
where:
Base-Base interactions energy: -295.230
where: short stacking energy: -133.819
Base-Backbone interact. energy: 0.018
local terms energy: -144.398952
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -33.229
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -46.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -402.543066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.543066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.543066 (E_RNA)
where:
Base-Base interactions energy: -258.641
where: short stacking energy: -125.844
Base-Backbone interact. energy: -0.048
local terms energy: -143.854333
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -352.200816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.200816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.200816 (E_RNA)
where:
Base-Base interactions energy: -218.390
where: short stacking energy: -102.005
Base-Backbone interact. energy: -0.152
local terms energy: -133.659605
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -21.717
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -292.963468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.963468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.963468 (E_RNA)
where:
Base-Base interactions energy: -172.585
where: short stacking energy: -85.187
Base-Backbone interact. energy: -0.627
local terms energy: -119.751591
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -153.979614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.979614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.979614 (E_RNA)
where:
Base-Base interactions energy: -56.939
where: short stacking energy: -35.187
Base-Backbone interact. energy: 1.340
local terms energy: -98.381537
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -0.104
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: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -159.808587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.808587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.808587 (E_RNA)
where:
Base-Base interactions energy: -60.342
where: short stacking energy: -49.278
Base-Backbone interact. energy: -1.094
local terms energy: -98.372914
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -517.959305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.959305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.959305 (E_RNA)
where:
Base-Base interactions energy: -355.017
where: short stacking energy: -148.024
Base-Backbone interact. energy: -0.828
local terms energy: -162.114345
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -42.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -532.253411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.253411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.253411 (E_RNA)
where:
Base-Base interactions energy: -363.030
where: short stacking energy: -157.172
Base-Backbone interact. energy: 0.077
local terms energy: -169.300526
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -51.021
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -484.553578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.553578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.553578 (E_RNA)
where:
Base-Base interactions energy: -331.807
where: short stacking energy: -136.442
Base-Backbone interact. energy: -0.857
local terms energy: -151.889450
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -42.480
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: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -459.237055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.237055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.237055 (E_RNA)
where:
Base-Base interactions energy: -316.752
where: short stacking energy: -133.404
Base-Backbone interact. energy: -0.054
local terms energy: -142.431872
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -43.768
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: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -499.695093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.695093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.695093 (E_RNA)
where:
Base-Base interactions energy: -340.907
where: short stacking energy: -151.076
Base-Backbone interact. energy: -0.823
local terms energy: -157.964683
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -32.820
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -45.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -392.651881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.651881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.651881 (E_RNA)
where:
Base-Base interactions energy: -251.024
where: short stacking energy: -118.420
Base-Backbone interact. energy: -0.386
local terms energy: -141.241666
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -36.263
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: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -369.855819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.855819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.855819 (E_RNA)
where:
Base-Base interactions energy: -241.221
where: short stacking energy: -108.592
Base-Backbone interact. energy: -0.707
local terms energy: -127.927419
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -33.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -307.377390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.377390 (E_RNA)
where:
Base-Base interactions energy: -191.132
where: short stacking energy: -78.624
Base-Backbone interact. energy: 0.518
local terms energy: -116.762483
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -134.708775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.708775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.708775 (E_RNA)
where:
Base-Base interactions energy: -47.354
where: short stacking energy: -45.399
Base-Backbone interact. energy: -0.879
local terms energy: -86.475363
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -17.874
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: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -156.271200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.271200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.271200 (E_RNA)
where:
Base-Base interactions energy: -55.142
where: short stacking energy: -34.685
Base-Backbone interact. energy: 4.004
local terms energy: -105.132835
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -524.766384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.766384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.766384 (E_RNA)
where:
Base-Base interactions energy: -355.778
where: short stacking energy: -163.212
Base-Backbone interact. energy: -0.026
local terms energy: -168.961969
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -47.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -529.162070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.162070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.162070 (E_RNA)
where:
Base-Base interactions energy: -367.544
where: short stacking energy: -139.806
Base-Backbone interact. energy: -0.443
local terms energy: -161.175287
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -44.736
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -493.953052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.953052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.953052 (E_RNA)
where:
Base-Base interactions energy: -342.175
where: short stacking energy: -139.556
Base-Backbone interact. energy: -0.219
local terms energy: -151.559090
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -38.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -451.264833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.264833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.264833 (E_RNA)
where:
Base-Base interactions energy: -294.057
where: short stacking energy: -131.906
Base-Backbone interact. energy: 0.459
local terms energy: -157.666954
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -40.213
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: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -497.644542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.644542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.644542 (E_RNA)
where:
Base-Base interactions energy: -343.779
where: short stacking energy: -155.493
Base-Backbone interact. energy: -0.310
local terms energy: -153.554784
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -36.349
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -389.464440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.464440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.464440 (E_RNA)
where:
Base-Base interactions energy: -240.451
where: short stacking energy: -109.658
Base-Backbone interact. energy: -1.137
local terms energy: -147.876130
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -24.646
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: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -383.801272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.801272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.801272 (E_RNA)
where:
Base-Base interactions energy: -250.209
where: short stacking energy: -118.496
Base-Backbone interact. energy: -0.166
local terms energy: -133.425416
where:
bonds (distance) C4'-P energy: -28.058
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -34.479
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -282.076620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.076620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.076620 (E_RNA)
where:
Base-Base interactions energy: -158.510
where: short stacking energy: -80.008
Base-Backbone interact. energy: -0.047
local terms energy: -123.519821
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -134.251453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.251453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.251453 (E_RNA)
where:
Base-Base interactions energy: -45.197
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.316
local terms energy: -88.738612
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -131.131293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.131293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.131293 (E_RNA)
where:
Base-Base interactions energy: -41.505
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.903
local terms energy: -88.722646
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -537.994970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.994970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.994970 (E_RNA)
where:
Base-Base interactions energy: -364.194
where: short stacking energy: -156.686
Base-Backbone interact. energy: -0.647
local terms energy: -173.153701
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -47.571
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: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -522.420728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.420728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.420728 (E_RNA)
where:
Base-Base interactions energy: -355.404
where: short stacking energy: -146.085
Base-Backbone interact. energy: -0.378
local terms energy: -166.638650
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -47.281
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -498.491115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.491115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.491115 (E_RNA)
where:
Base-Base interactions energy: -332.239
where: short stacking energy: -134.422
Base-Backbone interact. energy: -1.015
local terms energy: -165.236661
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -495.260953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.260953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.260953 (E_RNA)
where:
Base-Base interactions energy: -344.192
where: short stacking energy: -140.091
Base-Backbone interact. energy: -0.234
local terms energy: -150.834419
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -44.958
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -438.894565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.894565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.894565 (E_RNA)
where:
Base-Base interactions energy: -289.280
where: short stacking energy: -129.238
Base-Backbone interact. energy: -0.154
local terms energy: -149.460316
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -32.942
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -401.419416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.419416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.419416 (E_RNA)
where:
Base-Base interactions energy: -256.527
where: short stacking energy: -113.045
Base-Backbone interact. energy: -0.440
local terms energy: -144.451982
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -30.316
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -33.796
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -389.933708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.933708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.933708 (E_RNA)
where:
Base-Base interactions energy: -247.851
where: short stacking energy: -119.336
Base-Backbone interact. energy: -0.444
local terms energy: -141.639059
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -26.750
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: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -307.152264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.152264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.152264 (E_RNA)
where:
Base-Base interactions energy: -204.674
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.899
local terms energy: -101.580038
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -14.592
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: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -136.534948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.534948 (E_RNA)
where:
Base-Base interactions energy: -54.619
where: short stacking energy: -48.511
Base-Backbone interact. energy: 7.078
local terms energy: -88.993947
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: 2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -144.994063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.994063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.994063 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -41.847
Base-Backbone interact. energy: -0.330
local terms energy: -97.344293
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -533.291627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.291627 (E_RNA)
where:
Base-Base interactions energy: -365.986
where: short stacking energy: -147.966
Base-Backbone interact. energy: -1.376
local terms energy: -165.928761
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -45.165
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: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -532.713792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.713792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.713792 (E_RNA)
where:
Base-Base interactions energy: -366.071
where: short stacking energy: -155.354
Base-Backbone interact. energy: -0.446
local terms energy: -166.197685
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -30.225
flat angles C4'-P-C4' energy: -35.135
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -501.930724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.930724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.930724 (E_RNA)
where:
Base-Base interactions energy: -342.977
where: short stacking energy: -143.236
Base-Backbone interact. energy: 1.487
local terms energy: -160.440805
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -44.718
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -488.864389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.864389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.864389 (E_RNA)
where:
Base-Base interactions energy: -328.714
where: short stacking energy: -144.954
Base-Backbone interact. energy: -0.358
local terms energy: -159.792977
where:
bonds (distance) C4'-P energy: -29.729
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -42.464
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: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -434.061585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.061585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.061585 (E_RNA)
where:
Base-Base interactions energy: -281.272
where: short stacking energy: -118.832
Base-Backbone interact. energy: -0.127
local terms energy: -152.661969
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -408.006682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.006682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.006682 (E_RNA)
where:
Base-Base interactions energy: -279.916
where: short stacking energy: -115.863
Base-Backbone interact. energy: -0.571
local terms energy: -127.520036
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -27.281
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -370.949309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.949309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.949309 (E_RNA)
where:
Base-Base interactions energy: -231.553
where: short stacking energy: -110.415
Base-Backbone interact. energy: -0.015
local terms energy: -139.381497
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -34.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -297.883490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.883490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.883490 (E_RNA)
where:
Base-Base interactions energy: -174.051
where: short stacking energy: -84.954
Base-Backbone interact. energy: -0.957
local terms energy: -122.875943
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -26.633
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -148.017672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.017672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.017672 (E_RNA)
where:
Base-Base interactions energy: -56.877
where: short stacking energy: -42.046
Base-Backbone interact. energy: 0.116
local terms energy: -91.257166
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -171.982160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.982160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.982160 (E_RNA)
where:
Base-Base interactions energy: -72.018
where: short stacking energy: -47.903
Base-Backbone interact. energy: -0.337
local terms energy: -99.627034
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -528.421037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.421037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.421037 (E_RNA)
where:
Base-Base interactions energy: -370.382
where: short stacking energy: -154.478
Base-Backbone interact. energy: -0.002
local terms energy: -158.036337
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -501.131043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.131043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.131043 (E_RNA)
where:
Base-Base interactions energy: -356.918
where: short stacking energy: -146.179
Base-Backbone interact. energy: 0.828
local terms energy: -145.041025
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -42.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -511.883883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.883883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.883883 (E_RNA)
where:
Base-Base interactions energy: -351.843
where: short stacking energy: -148.073
Base-Backbone interact. energy: -0.559
local terms energy: -159.481009
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -45.258
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -502.281666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.281666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.281666 (E_RNA)
where:
Base-Base interactions energy: -339.264
where: short stacking energy: -150.028
Base-Backbone interact. energy: -1.139
local terms energy: -161.878184
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -46.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -439.686850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.686850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.686850 (E_RNA)
where:
Base-Base interactions energy: -294.745
where: short stacking energy: -121.752
Base-Backbone interact. energy: -0.365
local terms energy: -144.577047
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -42.382
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: 343
Temperature: 1.150000
Total energy: -398.284322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.284322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.284322 (E_RNA)
where:
Base-Base interactions energy: -257.594
where: short stacking energy: -109.835
Base-Backbone interact. energy: -1.453
local terms energy: -139.236963
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -359.587142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.587142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.587142 (E_RNA)
where:
Base-Base interactions energy: -224.813
where: short stacking energy: -109.159
Base-Backbone interact. energy: -0.489
local terms energy: -134.284974
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -27.390
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -32.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -303.293376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.293376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.293376 (E_RNA)
where:
Base-Base interactions energy: -185.723
where: short stacking energy: -82.546
Base-Backbone interact. energy: -0.357
local terms energy: -117.213385
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -20.889
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: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -143.396369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.396369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.396369 (E_RNA)
where:
Base-Base interactions energy: -55.108
where: short stacking energy: -37.828
Base-Backbone interact. energy: -1.741
local terms energy: -86.547348
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -137.587535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.587535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.587535 (E_RNA)
where:
Base-Base interactions energy: -57.775
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.754
local terms energy: -79.058470
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: 6.942
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: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -508.867287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.867287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.867287 (E_RNA)
where:
Base-Base interactions energy: -341.562
where: short stacking energy: -136.346
Base-Backbone interact. energy: -0.209
local terms energy: -167.095991
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -40.051
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -41.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -522.476480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.476480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.476480 (E_RNA)
where:
Base-Base interactions energy: -359.662
where: short stacking energy: -148.636
Base-Backbone interact. energy: -1.414
local terms energy: -161.400908
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -41.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -519.327674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.327674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.327674 (E_RNA)
where:
Base-Base interactions energy: -360.546
where: short stacking energy: -149.508
Base-Backbone interact. energy: -0.120
local terms energy: -158.661703
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -49.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -515.341284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.341284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.341284 (E_RNA)
where:
Base-Base interactions energy: -354.627
where: short stacking energy: -146.750
Base-Backbone interact. energy: -0.083
local terms energy: -160.631671
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -45.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -413.855679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.855679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.855679 (E_RNA)
where:
Base-Base interactions energy: -266.175
where: short stacking energy: -119.498
Base-Backbone interact. energy: -0.269
local terms energy: -147.412132
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -41.545
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -407.826799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.826799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.826799 (E_RNA)
where:
Base-Base interactions energy: -267.102
where: short stacking energy: -103.579
Base-Backbone interact. energy: 0.326
local terms energy: -141.051097
where:
bonds (distance) C4'-P energy: -28.677
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -34.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -366.729872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.729872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.729872 (E_RNA)
where:
Base-Base interactions energy: -223.281
where: short stacking energy: -106.126
Base-Backbone interact. energy: -0.837
local terms energy: -142.611655
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -34.885
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: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -321.958836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.958836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.958836 (E_RNA)
where:
Base-Base interactions energy: -197.013
where: short stacking energy: -80.479
Base-Backbone interact. energy: -0.220
local terms energy: -124.725712
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -20.943
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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -154.231509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.231509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.231509 (E_RNA)
where:
Base-Base interactions energy: -53.890
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.600
local terms energy: -99.741358
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -133.104529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.104529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.104529 (E_RNA)
where:
Base-Base interactions energy: -53.175
where: short stacking energy: -46.384
Base-Backbone interact. energy: 0.603
local terms energy: -80.532054
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -25.968
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -524.872460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.872460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.872460 (E_RNA)
where:
Base-Base interactions energy: -350.251
where: short stacking energy: -155.525
Base-Backbone interact. energy: -0.251
local terms energy: -174.371222
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -50.944
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: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -522.792098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.792098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.792098 (E_RNA)
where:
Base-Base interactions energy: -349.459
where: short stacking energy: -149.822
Base-Backbone interact. energy: 1.663
local terms energy: -174.995826
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -49.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -514.788386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.788386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.788386 (E_RNA)
where:
Base-Base interactions energy: -349.110
where: short stacking energy: -149.768
Base-Backbone interact. energy: -0.739
local terms energy: -164.939771
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -47.463
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: 345
Temperature: 1.050000
Total energy: -493.215645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.215645 (E_RNA)
where:
Base-Base interactions energy: -335.810
where: short stacking energy: -146.381
Base-Backbone interact. energy: -1.669
local terms energy: -155.736878
where:
bonds (distance) C4'-P energy: -28.998
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -43.223
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -416.319020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.319020 (E_RNA)
where:
Base-Base interactions energy: -277.991
where: short stacking energy: -117.883
Base-Backbone interact. energy: -0.983
local terms energy: -137.344540
where:
bonds (distance) C4'-P energy: -26.743
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -328.189499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.189499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.189499 (E_RNA)
where:
Base-Base interactions energy: -209.070
where: short stacking energy: -94.715
Base-Backbone interact. energy: -0.217
local terms energy: -118.903239
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -29.473
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -26.245
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: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -436.417476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.417476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.417476 (E_RNA)
where:
Base-Base interactions energy: -290.428
where: short stacking energy: -126.905
Base-Backbone interact. energy: 1.359
local terms energy: -147.348149
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -35.316
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: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -330.693595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.693595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.693595 (E_RNA)
where:
Base-Base interactions energy: -214.463
where: short stacking energy: -95.377
Base-Backbone interact. energy: -2.187
local terms energy: -114.043807
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -23.287
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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -159.519004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.519004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.519004 (E_RNA)
where:
Base-Base interactions energy: -59.697
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.534
local terms energy: -99.288638
where:
bonds (distance) C4'-P energy: -32.230
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -6.713
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: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -156.813556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.813556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.813556 (E_RNA)
where:
Base-Base interactions energy: -51.902
where: short stacking energy: -44.056
Base-Backbone interact. energy: -0.378
local terms energy: -104.533752
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -523.207867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.207867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.207867 (E_RNA)
where:
Base-Base interactions energy: -352.280
where: short stacking energy: -158.668
Base-Backbone interact. energy: -0.455
local terms energy: -170.472649
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -36.911
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -48.491
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: 346
Temperature: 0.950000
Total energy: -527.182147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.182147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.182147 (E_RNA)
where:
Base-Base interactions energy: -362.480
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.392
local terms energy: -164.310099
where:
bonds (distance) C4'-P energy: -25.319
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -45.066
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: 346
Temperature: 1.000000
Total energy: -505.362255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.362255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.362255 (E_RNA)
where:
Base-Base interactions energy: -340.646
where: short stacking energy: -137.600
Base-Backbone interact. energy: -0.703
local terms energy: -164.013930
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -43.215
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: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -491.564322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.564322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.564322 (E_RNA)
where:
Base-Base interactions energy: -328.977
where: short stacking energy: -135.778
Base-Backbone interact. energy: -0.119
local terms energy: -162.468739
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -409.844306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.844306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.844306 (E_RNA)
where:
Base-Base interactions energy: -272.082
where: short stacking energy: -115.853
Base-Backbone interact. energy: 2.403
local terms energy: -140.164848
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -31.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -248.354382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.354382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.354382 (E_RNA)
where:
Base-Base interactions energy: -132.584
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.251
local terms energy: -115.518915
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -424.221732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.221732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.221732 (E_RNA)
where:
Base-Base interactions energy: -280.703
where: short stacking energy: -121.175
Base-Backbone interact. energy: -0.376
local terms energy: -143.142271
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -37.569
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: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -338.383009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.383009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.383009 (E_RNA)
where:
Base-Base interactions energy: -217.823
where: short stacking energy: -101.823
Base-Backbone interact. energy: -0.504
local terms energy: -120.056225
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -137.172659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.172659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.172659 (E_RNA)
where:
Base-Base interactions energy: -46.610
where: short stacking energy: -38.304
Base-Backbone interact. energy: 0.737
local terms energy: -91.299677
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: 0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -147.332353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.332353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.332353 (E_RNA)
where:
Base-Base interactions energy: -60.318
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.197
local terms energy: -86.817374
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -536.529767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.529767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.529767 (E_RNA)
where:
Base-Base interactions energy: -362.447
where: short stacking energy: -171.978
Base-Backbone interact. energy: -0.410
local terms energy: -173.672582
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -27.653
tors. eta vs tors. theta energy: -51.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -527.338648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.338648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.338648 (E_RNA)
where:
Base-Base interactions energy: -361.962
where: short stacking energy: -165.992
Base-Backbone interact. energy: -0.231
local terms energy: -165.145917
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -46.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -509.542116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.542116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.542116 (E_RNA)
where:
Base-Base interactions energy: -349.934
where: short stacking energy: -143.425
Base-Backbone interact. energy: -0.387
local terms energy: -159.221052
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -45.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -496.636891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.636891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.636891 (E_RNA)
where:
Base-Base interactions energy: -340.727
where: short stacking energy: -134.609
Base-Backbone interact. energy: -0.416
local terms energy: -155.494551
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -406.206522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.206522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.206522 (E_RNA)
where:
Base-Base interactions energy: -274.627
where: short stacking energy: -108.364
Base-Backbone interact. energy: 0.488
local terms energy: -132.067886
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -413.847265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.847265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.847265 (E_RNA)
where:
Base-Base interactions energy: -278.821
where: short stacking energy: -124.000
Base-Backbone interact. energy: -0.279
local terms energy: -134.747555
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -37.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -289.321228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.321228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.321228 (E_RNA)
where:
Base-Base interactions energy: -177.949
where: short stacking energy: -97.692
Base-Backbone interact. energy: -0.477
local terms energy: -110.895276
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -343.380088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.380088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.380088 (E_RNA)
where:
Base-Base interactions energy: -218.596
where: short stacking energy: -99.846
Base-Backbone interact. energy: -0.141
local terms energy: -124.642827
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -26.441
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -148.748826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.748826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.748826 (E_RNA)
where:
Base-Base interactions energy: -49.457
where: short stacking energy: -33.202
Base-Backbone interact. energy: 6.438
local terms energy: -105.729856
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: 3.062
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: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -125.060204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.060204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.060204 (E_RNA)
where:
Base-Base interactions energy: -40.313
where: short stacking energy: -22.764
Base-Backbone interact. energy: 0.591
local terms energy: -85.338753
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -536.871668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.871668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.871668 (E_RNA)
where:
Base-Base interactions energy: -366.169
where: short stacking energy: -152.063
Base-Backbone interact. energy: -0.543
local terms energy: -170.160249
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -42.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -525.542496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.542496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.542496 (E_RNA)
where:
Base-Base interactions energy: -357.904
where: short stacking energy: -147.474
Base-Backbone interact. energy: -0.285
local terms energy: -167.352925
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -36.356
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -47.676
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: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -502.754929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.754929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.754929 (E_RNA)
where:
Base-Base interactions energy: -343.522
where: short stacking energy: -142.549
Base-Backbone interact. energy: 0.938
local terms energy: -160.170930
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -45.641
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: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -492.865273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.865273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.865273 (E_RNA)
where:
Base-Base interactions energy: -338.585
where: short stacking energy: -143.970
Base-Backbone interact. energy: -0.616
local terms energy: -153.663626
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -38.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -417.960189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.960189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.960189 (E_RNA)
where:
Base-Base interactions energy: -280.149
where: short stacking energy: -125.404
Base-Backbone interact. energy: -0.108
local terms energy: -137.702376
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -35.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -407.025999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.025999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.025999 (E_RNA)
where:
Base-Base interactions energy: -268.075
where: short stacking energy: -104.467
Base-Backbone interact. energy: -0.583
local terms energy: -138.367992
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -282.808753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.808753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.808753 (E_RNA)
where:
Base-Base interactions energy: -170.124
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.174
local terms energy: -112.510772
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -11.513
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -292.311601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.311601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.311601 (E_RNA)
where:
Base-Base interactions energy: -166.451
where: short stacking energy: -87.171
Base-Backbone interact. energy: -0.451
local terms energy: -125.409515
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -145.279712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.279712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.279712 (E_RNA)
where:
Base-Base interactions energy: -55.473
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.069
local terms energy: -89.737578
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -130.963603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.963603 (E_RNA)
where:
Base-Base interactions energy: -43.436
where: short stacking energy: -42.325
Base-Backbone interact. energy: 0.812
local terms energy: -88.339285
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -533.697482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.697482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.697482 (E_RNA)
where:
Base-Base interactions energy: -353.292
where: short stacking energy: -148.841
Base-Backbone interact. energy: -0.122
local terms energy: -180.283684
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -48.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -523.212169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.212169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.212169 (E_RNA)
where:
Base-Base interactions energy: -353.713
where: short stacking energy: -146.645
Base-Backbone interact. energy: -0.759
local terms energy: -168.739853
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -43.367
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: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -495.293223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.293223 (E_RNA)
where:
Base-Base interactions energy: -334.294
where: short stacking energy: -144.903
Base-Backbone interact. energy: -0.018
local terms energy: -160.981228
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -42.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -499.954708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.954708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.954708 (E_RNA)
where:
Base-Base interactions energy: -351.648
where: short stacking energy: -144.511
Base-Backbone interact. energy: -0.958
local terms energy: -147.349100
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -42.531
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -438.676553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.676553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.676553 (E_RNA)
where:
Base-Base interactions energy: -289.610
where: short stacking energy: -128.389
Base-Backbone interact. energy: 0.718
local terms energy: -149.784684
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -33.864
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -37.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -394.163184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.163184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.163184 (E_RNA)
where:
Base-Base interactions energy: -270.082
where: short stacking energy: -110.715
Base-Backbone interact. energy: 1.136
local terms energy: -125.217773
where:
bonds (distance) C4'-P energy: -27.010
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -300.408864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.408864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.408864 (E_RNA)
where:
Base-Base interactions energy: -177.452
where: short stacking energy: -79.256
Base-Backbone interact. energy: -1.051
local terms energy: -121.905889
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -17.867
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: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -164.603720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.603720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.603720 (E_RNA)
where:
Base-Base interactions energy: -62.620
where: short stacking energy: -48.252
Base-Backbone interact. energy: -1.439
local terms energy: -100.544130
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -289.558097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.558097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.558097 (E_RNA)
where:
Base-Base interactions energy: -172.845
where: short stacking energy: -80.800
Base-Backbone interact. energy: -0.512
local terms energy: -116.201289
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -146.712729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.712729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.712729 (E_RNA)
where:
Base-Base interactions energy: -45.819
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.184
local terms energy: -100.710098
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -15.757
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: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -539.257774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.257774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.257774 (E_RNA)
where:
Base-Base interactions energy: -363.200
where: short stacking energy: -154.546
Base-Backbone interact. energy: -0.128
local terms energy: -175.929855
where:
bonds (distance) C4'-P energy: -34.583
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -50.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -519.620883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.620883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.620883 (E_RNA)
where:
Base-Base interactions energy: -346.130
where: short stacking energy: -148.040
Base-Backbone interact. energy: -0.152
local terms energy: -173.339192
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -47.012
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -496.208072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.208072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.208072 (E_RNA)
where:
Base-Base interactions energy: -347.693
where: short stacking energy: -142.291
Base-Backbone interact. energy: 0.064
local terms energy: -148.579409
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -40.007
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -495.923751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.923751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.923751 (E_RNA)
where:
Base-Base interactions energy: -345.110
where: short stacking energy: -141.213
Base-Backbone interact. energy: -0.796
local terms energy: -150.018000
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -29.895
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -46.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -424.355912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.355912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.355912 (E_RNA)
where:
Base-Base interactions energy: -291.480
where: short stacking energy: -124.748
Base-Backbone interact. energy: 0.437
local terms energy: -133.312510
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -33.444
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: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -430.457370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.457370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.457370 (E_RNA)
where:
Base-Base interactions energy: -295.859
where: short stacking energy: -138.100
Base-Backbone interact. energy: -0.069
local terms energy: -134.529323
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -35.900
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -294.415112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.415112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.415112 (E_RNA)
where:
Base-Base interactions energy: -180.506
where: short stacking energy: -80.328
Base-Backbone interact. energy: 0.349
local terms energy: -114.258030
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -212.696273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.696273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.696273 (E_RNA)
where:
Base-Base interactions energy: -103.554
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.703
local terms energy: -108.439526
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -279.122959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.122959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.122959 (E_RNA)
where:
Base-Base interactions energy: -167.884
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.299
local terms energy: -110.940359
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -127.565015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.565015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.565015 (E_RNA)
where:
Base-Base interactions energy: -38.533
where: short stacking energy: -37.593
Base-Backbone interact. energy: -0.499
local terms energy: -88.532745
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -30.933
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: 8.033
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: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -532.527637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.527637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.527637 (E_RNA)
where:
Base-Base interactions energy: -367.540
where: short stacking energy: -154.595
Base-Backbone interact. energy: -0.479
local terms energy: -164.508754
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -47.289
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: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -523.809002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.809002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.809002 (E_RNA)
where:
Base-Base interactions energy: -355.001
where: short stacking energy: -152.368
Base-Backbone interact. energy: -0.868
local terms energy: -167.939874
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -49.876
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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -506.436510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.436510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.436510 (E_RNA)
where:
Base-Base interactions energy: -349.688
where: short stacking energy: -140.326
Base-Backbone interact. energy: -1.621
local terms energy: -155.127114
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -509.930367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.930367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.930367 (E_RNA)
where:
Base-Base interactions energy: -349.313
where: short stacking energy: -134.373
Base-Backbone interact. energy: -0.704
local terms energy: -159.913169
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -32.201
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -42.709
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: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -410.812561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.812561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.812561 (E_RNA)
where:
Base-Base interactions energy: -268.020
where: short stacking energy: -118.295
Base-Backbone interact. energy: -0.716
local terms energy: -142.077429
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -17.026
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: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -439.206450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.206450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.206450 (E_RNA)
where:
Base-Base interactions energy: -308.424
where: short stacking energy: -133.223
Base-Backbone interact. energy: -0.499
local terms energy: -130.283184
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -43.587
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: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -371.693285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.693285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.693285 (E_RNA)
where:
Base-Base interactions energy: -237.706
where: short stacking energy: -107.941
Base-Backbone interact. energy: -0.457
local terms energy: -133.529574
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -25.805
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -295.177834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.177834 (E_RNA)
where:
Base-Base interactions energy: -184.041
where: short stacking energy: -92.115
Base-Backbone interact. energy: 2.069
local terms energy: -113.205547
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -23.478
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: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -205.396868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.396868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.396868 (E_RNA)
where:
Base-Base interactions energy: -101.693
where: short stacking energy: -55.213
Base-Backbone interact. energy: 0.211
local terms energy: -103.914435
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -151.134746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.134746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.134746 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -34.138
Base-Backbone interact. energy: -1.640
local terms energy: -101.019024
where:
bonds (distance) C4'-P energy: -27.346
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -534.384318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.384318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.384318 (E_RNA)
where:
Base-Base interactions energy: -363.823
where: short stacking energy: -158.187
Base-Backbone interact. energy: -0.004
local terms energy: -170.557866
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -49.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -527.518762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.518762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.518762 (E_RNA)
where:
Base-Base interactions energy: -357.620
where: short stacking energy: -152.950
Base-Backbone interact. energy: -0.199
local terms energy: -169.699317
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -48.577
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: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -509.391015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.391015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.391015 (E_RNA)
where:
Base-Base interactions energy: -347.878
where: short stacking energy: -141.024
Base-Backbone interact. energy: 0.602
local terms energy: -162.115505
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -33.076
flat angles C4'-P-C4' energy: -32.847
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -45.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -501.309444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.309444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.309444 (E_RNA)
where:
Base-Base interactions energy: -341.401
where: short stacking energy: -142.147
Base-Backbone interact. energy: -0.688
local terms energy: -159.220636
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -44.893
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -453.176155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.176155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.176155 (E_RNA)
where:
Base-Base interactions energy: -304.895
where: short stacking energy: -129.934
Base-Backbone interact. energy: -0.041
local terms energy: -148.239330
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -404.315502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.315502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.315502 (E_RNA)
where:
Base-Base interactions energy: -283.248
where: short stacking energy: -129.101
Base-Backbone interact. energy: -0.623
local terms energy: -120.444277
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -34.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -330.372875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.372875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.372875 (E_RNA)
where:
Base-Base interactions energy: -211.338
where: short stacking energy: -104.022
Base-Backbone interact. energy: 0.644
local terms energy: -119.678868
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -294.578482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.578482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.578482 (E_RNA)
where:
Base-Base interactions energy: -172.776
where: short stacking energy: -86.463
Base-Backbone interact. energy: -1.150
local terms energy: -120.651850
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -12.466
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: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -194.972390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.972390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.972390 (E_RNA)
where:
Base-Base interactions energy: -98.369
where: short stacking energy: -60.897
Base-Backbone interact. energy: 0.810
local terms energy: -97.412897
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -14.963
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: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -147.877388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877388 (E_RNA)
where:
Base-Base interactions energy: -48.348
where: short stacking energy: -43.147
Base-Backbone interact. energy: 1.279
local terms energy: -100.808888
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -20.834
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -540.601024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.601024 (E_RNA)
where:
Base-Base interactions energy: -369.924
where: short stacking energy: -158.855
Base-Backbone interact. energy: -0.271
local terms energy: -170.406091
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -50.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -527.426292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.426292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.426292 (E_RNA)
where:
Base-Base interactions energy: -372.506
where: short stacking energy: -153.129
Base-Backbone interact. energy: -0.078
local terms energy: -154.842735
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -44.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -520.738850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.738850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.738850 (E_RNA)
where:
Base-Base interactions energy: -356.369
where: short stacking energy: -155.964
Base-Backbone interact. energy: 0.850
local terms energy: -165.219568
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -33.576
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -50.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -500.528588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.528588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.528588 (E_RNA)
where:
Base-Base interactions energy: -346.421
where: short stacking energy: -146.059
Base-Backbone interact. energy: -0.254
local terms energy: -153.853572
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -30.871
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -47.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -463.034173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.034173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.034173 (E_RNA)
where:
Base-Base interactions energy: -315.824
where: short stacking energy: -145.692
Base-Backbone interact. energy: -0.116
local terms energy: -147.093876
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -52.022
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: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -398.709910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.709910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.709910 (E_RNA)
where:
Base-Base interactions energy: -269.451
where: short stacking energy: -120.226
Base-Backbone interact. energy: -0.875
local terms energy: -128.383571
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -12.663
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -337.099654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.099654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.099654 (E_RNA)
where:
Base-Base interactions energy: -207.001
where: short stacking energy: -100.647
Base-Backbone interact. energy: 2.086
local terms energy: -132.185145
where:
bonds (distance) C4'-P energy: -26.251
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -311.333764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.333764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.333764 (E_RNA)
where:
Base-Base interactions energy: -183.940
where: short stacking energy: -95.631
Base-Backbone interact. energy: -0.409
local terms energy: -126.984456
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -150.165993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.165993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.165993 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.459
local terms energy: -96.891753
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -138.345956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.345956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.345956 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -42.881
Base-Backbone interact. energy: -0.308
local terms energy: -90.835428
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -19.462
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: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -520.637775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.637775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.637775 (E_RNA)
where:
Base-Base interactions energy: -349.247
where: short stacking energy: -144.012
Base-Backbone interact. energy: -0.127
local terms energy: -171.263871
where:
bonds (distance) C4'-P energy: -29.018
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -44.921
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: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -530.243189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.243189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.243189 (E_RNA)
where:
Base-Base interactions energy: -365.362
where: short stacking energy: -150.661
Base-Backbone interact. energy: -0.085
local terms energy: -164.795685
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -507.532667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.532667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.532667 (E_RNA)
where:
Base-Base interactions energy: -342.760
where: short stacking energy: -136.337
Base-Backbone interact. energy: -0.067
local terms energy: -164.705642
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -45.555
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: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -507.106298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.106298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.106298 (E_RNA)
where:
Base-Base interactions energy: -342.811
where: short stacking energy: -147.066
Base-Backbone interact. energy: -0.511
local terms energy: -163.784257
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -48.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -455.346903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.346903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.346903 (E_RNA)
where:
Base-Base interactions energy: -296.941
where: short stacking energy: -132.052
Base-Backbone interact. energy: -0.799
local terms energy: -157.607499
where:
bonds (distance) C4'-P energy: -32.299
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -44.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -401.997606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.997606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.997606 (E_RNA)
where:
Base-Base interactions energy: -266.717
where: short stacking energy: -120.362
Base-Backbone interact. energy: 0.567
local terms energy: -135.847258
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -34.525
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -320.532081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.532081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.532081 (E_RNA)
where:
Base-Base interactions energy: -193.752
where: short stacking energy: -95.458
Base-Backbone interact. energy: -1.241
local terms energy: -125.538850
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -284.053280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.053280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.053280 (E_RNA)
where:
Base-Base interactions energy: -175.695
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.046
local terms energy: -108.312757
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -30.061
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -144.156640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.156640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.156640 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.463
local terms energy: -99.464445
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -5.511
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: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -133.075160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.075160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.075160 (E_RNA)
where:
Base-Base interactions energy: -51.077
where: short stacking energy: -43.443
Base-Backbone interact. energy: -1.532
local terms energy: -80.466719
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -17.889
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: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -525.962559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.962559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.962559 (E_RNA)
where:
Base-Base interactions energy: -353.845
where: short stacking energy: -155.741
Base-Backbone interact. energy: -0.120
local terms energy: -171.997918
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -50.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -518.931410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.931410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.931410 (E_RNA)
where:
Base-Base interactions energy: -358.350
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.698
local terms energy: -159.883088
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -45.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -497.826871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.826871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.826871 (E_RNA)
where:
Base-Base interactions energy: -330.697
where: short stacking energy: -138.525
Base-Backbone interact. energy: -0.936
local terms energy: -166.194495
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -35.396
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -433.889780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.889780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.889780 (E_RNA)
where:
Base-Base interactions energy: -285.949
where: short stacking energy: -126.727
Base-Backbone interact. energy: -0.029
local terms energy: -147.911770
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -39.331
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: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -506.909963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.909963 (E_RNA)
where:
Base-Base interactions energy: -347.563
where: short stacking energy: -143.879
Base-Backbone interact. energy: -0.033
local terms energy: -159.313983
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -48.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -413.094735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.094735 (E_RNA)
where:
Base-Base interactions energy: -276.988
where: short stacking energy: -116.147
Base-Backbone interact. energy: -0.548
local terms energy: -135.558092
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -13.763
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -311.553209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.553209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.553209 (E_RNA)
where:
Base-Base interactions energy: -196.411
where: short stacking energy: -91.631
Base-Backbone interact. energy: -0.072
local terms energy: -115.070081
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -273.116288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.116288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.116288 (E_RNA)
where:
Base-Base interactions energy: -162.149
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.489
local terms energy: -110.478685
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -29.504
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -150.658159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.658159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.658159 (E_RNA)
where:
Base-Base interactions energy: -39.841
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.389
local terms energy: -110.427532
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -141.765644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.765644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.765644 (E_RNA)
where:
Base-Base interactions energy: -42.980
where: short stacking energy: -41.998
Base-Backbone interact. energy: 0.213
local terms energy: -98.998783
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -539.746673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.746673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.746673 (E_RNA)
where:
Base-Base interactions energy: -375.663
where: short stacking energy: -146.886
Base-Backbone interact. energy: -0.146
local terms energy: -163.938061
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -533.264314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.264314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.264314 (E_RNA)
where:
Base-Base interactions energy: -368.070
where: short stacking energy: -140.997
Base-Backbone interact. energy: -0.815
local terms energy: -164.379499
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -41.415
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: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -500.457965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.457965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.457965 (E_RNA)
where:
Base-Base interactions energy: -338.475
where: short stacking energy: -141.448
Base-Backbone interact. energy: -0.168
local terms energy: -161.814549
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -37.870
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -39.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -447.943399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.943399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.943399 (E_RNA)
where:
Base-Base interactions energy: -292.512
where: short stacking energy: -123.527
Base-Backbone interact. energy: -0.064
local terms energy: -155.367221
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -40.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -492.754266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.754266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.754266 (E_RNA)
where:
Base-Base interactions energy: -337.720
where: short stacking energy: -149.265
Base-Backbone interact. energy: -0.422
local terms energy: -154.612195
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -42.987
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -415.806098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.806098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.806098 (E_RNA)
where:
Base-Base interactions energy: -274.716
where: short stacking energy: -111.485
Base-Backbone interact. energy: 2.153
local terms energy: -143.243319
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -368.532043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.532043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.532043 (E_RNA)
where:
Base-Base interactions energy: -232.900
where: short stacking energy: -113.494
Base-Backbone interact. energy: -0.370
local terms energy: -135.262545
where:
bonds (distance) C4'-P energy: -30.492
bonds (distance) P-C4' energy: -27.031
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -30.563
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -276.693997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.693997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.693997 (E_RNA)
where:
Base-Base interactions energy: -159.107
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.383
local terms energy: -117.204548
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -32.703
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -151.029932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.029932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.029932 (E_RNA)
where:
Base-Base interactions energy: -57.089
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.207
local terms energy: -93.733976
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -5.681
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: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -134.733278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.733278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.733278 (E_RNA)
where:
Base-Base interactions energy: -49.427
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.636
local terms energy: -84.670040
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -16.486
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: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -523.346730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.346730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.346730 (E_RNA)
where:
Base-Base interactions energy: -347.442
where: short stacking energy: -144.065
Base-Backbone interact. energy: 0.677
local terms energy: -176.581716
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -48.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -518.923724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.923724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.923724 (E_RNA)
where:
Base-Base interactions energy: -356.664
where: short stacking energy: -137.028
Base-Backbone interact. energy: -0.747
local terms energy: -161.512715
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -48.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -513.820541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.820541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820541 (E_RNA)
where:
Base-Base interactions energy: -369.765
where: short stacking energy: -141.018
Base-Backbone interact. energy: -0.193
local terms energy: -143.862867
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -40.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -510.432868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.432868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.432868 (E_RNA)
where:
Base-Base interactions energy: -344.631
where: short stacking energy: -144.141
Base-Backbone interact. energy: -0.207
local terms energy: -165.594853
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -45.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -448.753823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.753823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.753823 (E_RNA)
where:
Base-Base interactions energy: -300.056
where: short stacking energy: -141.452
Base-Backbone interact. energy: -0.185
local terms energy: -148.512755
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -400.625533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.625533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.625533 (E_RNA)
where:
Base-Base interactions energy: -279.898
where: short stacking energy: -109.921
Base-Backbone interact. energy: -1.152
local terms energy: -119.575590
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -377.412222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.412222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.412222 (E_RNA)
where:
Base-Base interactions energy: -241.712
where: short stacking energy: -114.064
Base-Backbone interact. energy: 0.449
local terms energy: -136.149369
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -18.903
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: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -300.745350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.745350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.745350 (E_RNA)
where:
Base-Base interactions energy: -181.019
where: short stacking energy: -87.434
Base-Backbone interact. energy: -0.583
local terms energy: -119.142679
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -25.028
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: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -151.622110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.622110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.622110 (E_RNA)
where:
Base-Base interactions energy: -54.746
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.471
local terms energy: -96.405780
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -147.461346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.461346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.461346 (E_RNA)
where:
Base-Base interactions energy: -62.474
where: short stacking energy: -45.763
Base-Backbone interact. energy: -0.364
local terms energy: -84.622548
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -524.983935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.983935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.983935 (E_RNA)
where:
Base-Base interactions energy: -362.780
where: short stacking energy: -146.590
Base-Backbone interact. energy: -0.170
local terms energy: -162.033608
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -39.294
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: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -528.998107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.998107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.998107 (E_RNA)
where:
Base-Base interactions energy: -356.698
where: short stacking energy: -149.764
Base-Backbone interact. energy: -0.120
local terms energy: -172.180616
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -49.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -525.811790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.811790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.811790 (E_RNA)
where:
Base-Base interactions energy: -357.352
where: short stacking energy: -139.273
Base-Backbone interact. energy: -0.117
local terms energy: -168.342160
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -45.335
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: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -482.292836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.292836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.292836 (E_RNA)
where:
Base-Base interactions energy: -339.048
where: short stacking energy: -130.082
Base-Backbone interact. energy: -0.292
local terms energy: -142.952574
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -37.381
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -455.271151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.271151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.271151 (E_RNA)
where:
Base-Base interactions energy: -312.478
where: short stacking energy: -135.258
Base-Backbone interact. energy: -0.378
local terms energy: -142.414909
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -42.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -381.957080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.957080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.957080 (E_RNA)
where:
Base-Base interactions energy: -242.141
where: short stacking energy: -119.015
Base-Backbone interact. energy: -0.869
local terms energy: -138.946833
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -28.592
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -319.101304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.101304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.101304 (E_RNA)
where:
Base-Base interactions energy: -194.580
where: short stacking energy: -92.858
Base-Backbone interact. energy: 0.204
local terms energy: -124.724878
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -303.149079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.149079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.149079 (E_RNA)
where:
Base-Base interactions energy: -191.180
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.945
local terms energy: -111.023858
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -186.432553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.432553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.432553 (E_RNA)
where:
Base-Base interactions energy: -91.632
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.477
local terms energy: -94.324188
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -146.467607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.467607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.467607 (E_RNA)
where:
Base-Base interactions energy: -50.099
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.221
local terms energy: -96.147513
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -10.426
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -534.205088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.205088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.205088 (E_RNA)
where:
Base-Base interactions energy: -370.429
where: short stacking energy: -147.809
Base-Backbone interact. energy: 1.303
local terms energy: -165.079347
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -31.104
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -526.101525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.101525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.101525 (E_RNA)
where:
Base-Base interactions energy: -366.594
where: short stacking energy: -141.018
Base-Backbone interact. energy: -0.167
local terms energy: -159.340672
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -41.510
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -514.680787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.680787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.680787 (E_RNA)
where:
Base-Base interactions energy: -352.331
where: short stacking energy: -148.706
Base-Backbone interact. energy: -0.192
local terms energy: -162.158038
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -42.105
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: 359
Temperature: 1.050000
Total energy: -482.429006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.429006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.429006 (E_RNA)
where:
Base-Base interactions energy: -330.208
where: short stacking energy: -143.514
Base-Backbone interact. energy: -0.139
local terms energy: -152.082466
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -446.429982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.429982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.429982 (E_RNA)
where:
Base-Base interactions energy: -309.176
where: short stacking energy: -133.966
Base-Backbone interact. energy: 0.475
local terms energy: -137.728220
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -35.427
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: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -388.469538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.469538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.469538 (E_RNA)
where:
Base-Base interactions energy: -256.757
where: short stacking energy: -123.245
Base-Backbone interact. energy: 2.057
local terms energy: -133.769557
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -31.705
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: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -322.029314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.029314 (E_RNA)
where:
Base-Base interactions energy: -202.504
where: short stacking energy: -77.482
Base-Backbone interact. energy: -0.280
local terms energy: -119.245637
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -20.317
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: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -308.911164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.911164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.911164 (E_RNA)
where:
Base-Base interactions energy: -185.533
where: short stacking energy: -88.939
Base-Backbone interact. energy: -0.280
local terms energy: -123.098238
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -138.786731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.786731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.786731 (E_RNA)
where:
Base-Base interactions energy: -60.671
where: short stacking energy: -56.172
Base-Backbone interact. energy: 0.147
local terms energy: -78.262631
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -10.782
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: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -130.025443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.025443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.025443 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -37.894
Base-Backbone interact. energy: -0.520
local terms energy: -90.336065
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -533.348531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.348531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.348531 (E_RNA)
where:
Base-Base interactions energy: -368.901
where: short stacking energy: -150.723
Base-Backbone interact. energy: -0.384
local terms energy: -164.063578
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -518.494896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.494896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.494896 (E_RNA)
where:
Base-Base interactions energy: -358.238
where: short stacking energy: -141.486
Base-Backbone interact. energy: -0.660
local terms energy: -159.597406
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -43.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -495.087761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.087761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.087761 (E_RNA)
where:
Base-Base interactions energy: -330.286
where: short stacking energy: -141.032
Base-Backbone interact. energy: -1.421
local terms energy: -163.380636
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -474.010665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.010665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.010665 (E_RNA)
where:
Base-Base interactions energy: -322.747
where: short stacking energy: -127.599
Base-Backbone interact. energy: -0.340
local terms energy: -150.923752
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -37.088
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: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -424.655736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.655736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.655736 (E_RNA)
where:
Base-Base interactions energy: -279.667
where: short stacking energy: -130.190
Base-Backbone interact. energy: 1.887
local terms energy: -146.876085
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -37.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -438.737978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.737978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.737978 (E_RNA)
where:
Base-Base interactions energy: -293.873
where: short stacking energy: -141.550
Base-Backbone interact. energy: -0.549
local terms energy: -144.315472
where:
bonds (distance) C4'-P energy: -30.406
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -39.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -367.723208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.723208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.723208 (E_RNA)
where:
Base-Base interactions energy: -236.823
where: short stacking energy: -105.802
Base-Backbone interact. energy: 0.284
local terms energy: -131.184041
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -335.806361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.806361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.806361 (E_RNA)
where:
Base-Base interactions energy: -209.838
where: short stacking energy: -106.976
Base-Backbone interact. energy: -0.963
local terms energy: -125.004443
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -23.814
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: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -140.514062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.514062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.514062 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -47.953
Base-Backbone interact. energy: 0.034
local terms energy: -92.444677
where:
bonds (distance) C4'-P energy: -26.885
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -9.347
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -145.731340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.731340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.731340 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -45.573
Base-Backbone interact. energy: 2.995
local terms energy: -99.764651
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: 0.604
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: 361
Temperature: 0.900000
Total energy: -521.098245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.098245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.098245 (E_RNA)
where:
Base-Base interactions energy: -356.777
where: short stacking energy: -144.560
Base-Backbone interact. energy: -0.111
local terms energy: -164.210422
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -513.576588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.576588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.576588 (E_RNA)
where:
Base-Base interactions energy: -352.732
where: short stacking energy: -137.725
Base-Backbone interact. energy: -0.192
local terms energy: -160.652196
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -44.362
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: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -519.046274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.046274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.046274 (E_RNA)
where:
Base-Base interactions energy: -356.976
where: short stacking energy: -154.855
Base-Backbone interact. energy: -0.168
local terms energy: -161.902093
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -442.302953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.302953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.302953 (E_RNA)
where:
Base-Base interactions energy: -284.550
where: short stacking energy: -122.914
Base-Backbone interact. energy: -0.089
local terms energy: -157.663407
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -42.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -479.535201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.535201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.535201 (E_RNA)
where:
Base-Base interactions energy: -336.215
where: short stacking energy: -138.477
Base-Backbone interact. energy: -1.431
local terms energy: -141.888774
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -40.169
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -435.499661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.499661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.499661 (E_RNA)
where:
Base-Base interactions energy: -281.011
where: short stacking energy: -122.865
Base-Backbone interact. energy: -0.307
local terms energy: -154.182209
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -369.732263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.732263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.732263 (E_RNA)
where:
Base-Base interactions energy: -241.629
where: short stacking energy: -103.196
Base-Backbone interact. energy: -0.236
local terms energy: -127.867120
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -347.057950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.057950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.057950 (E_RNA)
where:
Base-Base interactions energy: -208.435
where: short stacking energy: -105.825
Base-Backbone interact. energy: -0.511
local terms energy: -138.111848
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -33.206
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -155.487011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.487011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.487011 (E_RNA)
where:
Base-Base interactions energy: -67.082
where: short stacking energy: -54.254
Base-Backbone interact. energy: -0.686
local terms energy: -87.718381
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -139.670618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.670618 (E_RNA)
where:
Base-Base interactions energy: -54.063
where: short stacking energy: -47.285
Base-Backbone interact. energy: 0.287
local terms energy: -85.894837
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -536.621313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.621313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.621313 (E_RNA)
where:
Base-Base interactions energy: -357.457
where: short stacking energy: -149.989
Base-Backbone interact. energy: 0.322
local terms energy: -179.485641
where:
bonds (distance) C4'-P energy: -36.368
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -46.471
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: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -522.618218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.618218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.618218 (E_RNA)
where:
Base-Base interactions energy: -357.361
where: short stacking energy: -147.207
Base-Backbone interact. energy: -0.106
local terms energy: -165.151558
where:
bonds (distance) C4'-P energy: -27.050
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -46.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -512.363408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.363408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.363408 (E_RNA)
where:
Base-Base interactions energy: -335.709
where: short stacking energy: -138.586
Base-Backbone interact. energy: 0.484
local terms energy: -177.138829
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -45.608
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -428.579520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.579520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.579520 (E_RNA)
where:
Base-Base interactions energy: -283.393
where: short stacking energy: -123.561
Base-Backbone interact. energy: -0.067
local terms energy: -145.120178
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -459.561697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.561697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.561697 (E_RNA)
where:
Base-Base interactions energy: -308.433
where: short stacking energy: -142.523
Base-Backbone interact. energy: -0.105
local terms energy: -151.023616
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -482.229922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.229922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.229922 (E_RNA)
where:
Base-Base interactions energy: -328.432
where: short stacking energy: -144.074
Base-Backbone interact. energy: -0.534
local terms energy: -153.263483
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -44.464
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: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -363.177752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.177752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.177752 (E_RNA)
where:
Base-Base interactions energy: -229.128
where: short stacking energy: -105.846
Base-Backbone interact. energy: -0.418
local terms energy: -133.632371
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -31.703
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -28.297
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -315.477667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.477667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.477667 (E_RNA)
where:
Base-Base interactions energy: -190.636
where: short stacking energy: -89.505
Base-Backbone interact. energy: -2.034
local terms energy: -122.807609
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -23.075
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: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -149.098847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.098847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.098847 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -31.214
Base-Backbone interact. energy: 0.062
local terms energy: -112.866868
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -135.870103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.870103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.870103 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.233
local terms energy: -101.039463
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -525.457817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.457817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.457817 (E_RNA)
where:
Base-Base interactions energy: -357.080
where: short stacking energy: -157.762
Base-Backbone interact. energy: -0.920
local terms energy: -167.457511
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -48.260
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: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -505.011551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.011551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.011551 (E_RNA)
where:
Base-Base interactions energy: -338.664
where: short stacking energy: -136.414
Base-Backbone interact. energy: -0.752
local terms energy: -165.595774
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -41.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -506.208208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.208208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.208208 (E_RNA)
where:
Base-Base interactions energy: -343.433
where: short stacking energy: -156.307
Base-Backbone interact. energy: -0.344
local terms energy: -162.431709
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -32.641
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -450.076686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.076686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.076686 (E_RNA)
where:
Base-Base interactions energy: -296.260
where: short stacking energy: -135.167
Base-Backbone interact. energy: 0.211
local terms energy: -154.027763
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -412.583591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.583591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.583591 (E_RNA)
where:
Base-Base interactions energy: -282.846
where: short stacking energy: -114.393
Base-Backbone interact. energy: 1.621
local terms energy: -131.359033
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -25.632
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: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -470.315103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.315103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.315103 (E_RNA)
where:
Base-Base interactions energy: -321.097
where: short stacking energy: -137.050
Base-Backbone interact. energy: -0.768
local terms energy: -148.450514
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -39.239
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: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -383.892261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.892261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.892261 (E_RNA)
where:
Base-Base interactions energy: -243.485
where: short stacking energy: -116.987
Base-Backbone interact. energy: -0.223
local terms energy: -140.184923
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -32.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -316.723726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.723726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.723726 (E_RNA)
where:
Base-Base interactions energy: -202.499
where: short stacking energy: -89.861
Base-Backbone interact. energy: 0.952
local terms energy: -115.176975
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -23.394
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: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -148.159674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.159674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.159674 (E_RNA)
where:
Base-Base interactions energy: -55.083
where: short stacking energy: -47.770
Base-Backbone interact. energy: 0.282
local terms energy: -93.359369
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -133.581406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.581406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.581406 (E_RNA)
where:
Base-Base interactions energy: -45.484
where: short stacking energy: -41.701
Base-Backbone interact. energy: -0.571
local terms energy: -87.526504
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -22.203
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: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -532.035731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.035731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.035731 (E_RNA)
where:
Base-Base interactions energy: -358.911
where: short stacking energy: -153.335
Base-Backbone interact. energy: -0.571
local terms energy: -172.554350
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -50.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -517.059630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.059630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.059630 (E_RNA)
where:
Base-Base interactions energy: -354.007
where: short stacking energy: -144.083
Base-Backbone interact. energy: -0.140
local terms energy: -162.912579
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -41.010
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: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -507.190861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.190861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.190861 (E_RNA)
where:
Base-Base interactions energy: -343.301
where: short stacking energy: -153.207
Base-Backbone interact. energy: -0.045
local terms energy: -163.844541
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -49.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -436.765953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.765953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.765953 (E_RNA)
where:
Base-Base interactions energy: -287.464
where: short stacking energy: -121.991
Base-Backbone interact. energy: -0.169
local terms energy: -149.132798
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -27.008
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: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -471.976237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.976237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.976237 (E_RNA)
where:
Base-Base interactions energy: -314.604
where: short stacking energy: -134.073
Base-Backbone interact. energy: -0.525
local terms energy: -156.846647
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -27.656
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -47.479
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: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -411.230783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.230783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.230783 (E_RNA)
where:
Base-Base interactions energy: -270.354
where: short stacking energy: -120.298
Base-Backbone interact. energy: -0.255
local terms energy: -140.620983
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -38.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -342.136094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.136094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.136094 (E_RNA)
where:
Base-Base interactions energy: -210.744
where: short stacking energy: -89.690
Base-Backbone interact. energy: -0.239
local terms energy: -131.152910
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -27.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -309.459337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.459337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.459337 (E_RNA)
where:
Base-Base interactions energy: -190.369
where: short stacking energy: -89.851
Base-Backbone interact. energy: 0.755
local terms energy: -119.845617
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -26.192
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -139.157388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.157388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.157388 (E_RNA)
where:
Base-Base interactions energy: -60.885
where: short stacking energy: -38.697
Base-Backbone interact. energy: -1.988
local terms energy: -76.283970
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: 3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -130.702956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.702956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.702956 (E_RNA)
where:
Base-Base interactions energy: -52.933
where: short stacking energy: -29.827
Base-Backbone interact. energy: 0.459
local terms energy: -78.228693
where:
bonds (distance) C4'-P energy: -28.653
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: 5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -525.750661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.750661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.750661 (E_RNA)
where:
Base-Base interactions energy: -364.565
where: short stacking energy: -138.691
Base-Backbone interact. energy: -0.354
local terms energy: -160.831574
where:
bonds (distance) C4'-P energy: -32.336
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -42.011
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: 365
Temperature: 0.950000
Total energy: -542.270086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.270086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.270086 (E_RNA)
where:
Base-Base interactions energy: -371.956
where: short stacking energy: -169.696
Base-Backbone interact. energy: -0.585
local terms energy: -169.729912
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -31.501
flat angles C4'-P-C4' energy: -33.965
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -51.390
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: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -524.266776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.266776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.266776 (E_RNA)
where:
Base-Base interactions energy: -360.195
where: short stacking energy: -145.854
Base-Backbone interact. energy: -0.080
local terms energy: -163.991678
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -44.631
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -497.624331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.624331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.624331 (E_RNA)
where:
Base-Base interactions energy: -359.323
where: short stacking energy: -160.447
Base-Backbone interact. energy: -0.157
local terms energy: -138.144852
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -45.635
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: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -433.528816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.528816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.528816 (E_RNA)
where:
Base-Base interactions energy: -291.093
where: short stacking energy: -112.140
Base-Backbone interact. energy: -0.442
local terms energy: -141.994277
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -37.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -417.905269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.905269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.905269 (E_RNA)
where:
Base-Base interactions energy: -275.309
where: short stacking energy: -117.550
Base-Backbone interact. energy: -1.040
local terms energy: -141.555703
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -37.051
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: 365
Temperature: 1.200000
Total energy: -360.281061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.281061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.281061 (E_RNA)
where:
Base-Base interactions energy: -230.035
where: short stacking energy: -93.570
Base-Backbone interact. energy: -0.202
local terms energy: -130.044202
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -294.723119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.723119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.723119 (E_RNA)
where:
Base-Base interactions energy: -179.541
where: short stacking energy: -81.443
Base-Backbone interact. energy: -0.406
local terms energy: -114.775916
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -183.103404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.103404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.103404 (E_RNA)
where:
Base-Base interactions energy: -91.469
where: short stacking energy: -49.400
Base-Backbone interact. energy: -0.208
local terms energy: -91.427037
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -17.864
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: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -165.293711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293711 (E_RNA)
where:
Base-Base interactions energy: -82.061
where: short stacking energy: -46.182
Base-Backbone interact. energy: -0.362
local terms energy: -82.870262
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -530.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.780934 (E_RNA)
where:
Base-Base interactions energy: -353.167
where: short stacking energy: -153.969
Base-Backbone interact. energy: -0.049
local terms energy: -177.565766
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -30.243
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -27.743
tors. eta vs tors. theta energy: -47.786
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: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -504.301371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.301371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.301371 (E_RNA)
where:
Base-Base interactions energy: -349.937
where: short stacking energy: -142.156
Base-Backbone interact. energy: -1.231
local terms energy: -153.133936
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -43.154
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: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -507.949906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.949906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.949906 (E_RNA)
where:
Base-Base interactions energy: -353.274
where: short stacking energy: -154.555
Base-Backbone interact. energy: -0.008
local terms energy: -154.668170
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -47.134
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: 366
Temperature: 1.050000
Total energy: -497.655484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.655484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.655484 (E_RNA)
where:
Base-Base interactions energy: -335.877
where: short stacking energy: -141.947
Base-Backbone interact. energy: -0.358
local terms energy: -161.419879
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -43.297
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -416.741642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.741642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.741642 (E_RNA)
where:
Base-Base interactions energy: -264.397
where: short stacking energy: -116.362
Base-Backbone interact. energy: -1.268
local terms energy: -151.076407
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -32.676
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -425.434487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.434487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.434487 (E_RNA)
where:
Base-Base interactions energy: -291.171
where: short stacking energy: -117.383
Base-Backbone interact. energy: -0.761
local terms energy: -133.503138
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -36.281
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -367.888691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.888691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.888691 (E_RNA)
where:
Base-Base interactions energy: -239.226
where: short stacking energy: -106.731
Base-Backbone interact. energy: -0.865
local terms energy: -127.798004
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -30.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -285.783017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.783017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.783017 (E_RNA)
where:
Base-Base interactions energy: -169.953
where: short stacking energy: -81.562
Base-Backbone interact. energy: 3.324
local terms energy: -119.153966
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -28.231
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -188.865875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.865875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.865875 (E_RNA)
where:
Base-Base interactions energy: -86.028
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.924
local terms energy: -101.914154
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -133.322658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.322658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.322658 (E_RNA)
where:
Base-Base interactions energy: -51.294
where: short stacking energy: -49.907
Base-Backbone interact. energy: 2.117
local terms energy: -84.146104
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -533.476145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.476145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.476145 (E_RNA)
where:
Base-Base interactions energy: -364.180
where: short stacking energy: -146.163
Base-Backbone interact. energy: -0.395
local terms energy: -168.901348
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -42.015
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -512.387258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.387258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.387258 (E_RNA)
where:
Base-Base interactions energy: -346.205
where: short stacking energy: -147.743
Base-Backbone interact. energy: -0.015
local terms energy: -166.167298
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -30.464
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -45.085
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -499.639025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.639025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.639025 (E_RNA)
where:
Base-Base interactions energy: -351.131
where: short stacking energy: -142.110
Base-Backbone interact. energy: -0.706
local terms energy: -147.802199
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: -44.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -494.696369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.696369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.696369 (E_RNA)
where:
Base-Base interactions energy: -344.696
where: short stacking energy: -136.634
Base-Backbone interact. energy: -0.748
local terms energy: -149.251991
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -416.793012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.793012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.793012 (E_RNA)
where:
Base-Base interactions energy: -272.324
where: short stacking energy: -117.455
Base-Backbone interact. energy: -0.356
local terms energy: -144.113421
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -39.260
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: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -423.499794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.499794 (E_RNA)
where:
Base-Base interactions energy: -286.782
where: short stacking energy: -121.349
Base-Backbone interact. energy: -0.444
local terms energy: -136.273424
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -16.869
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: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -356.562180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.562180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.562180 (E_RNA)
where:
Base-Base interactions energy: -228.620
where: short stacking energy: -102.269
Base-Backbone interact. energy: 0.324
local terms energy: -128.266021
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -26.992
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -295.784762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.784762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.784762 (E_RNA)
where:
Base-Base interactions energy: -175.603
where: short stacking energy: -84.269
Base-Backbone interact. energy: -0.325
local terms energy: -119.856464
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -17.232
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -148.593519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.593519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.593519 (E_RNA)
where:
Base-Base interactions energy: -59.155
where: short stacking energy: -45.981
Base-Backbone interact. energy: -3.167
local terms energy: -86.271411
where:
bonds (distance) C4'-P energy: -31.744
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -157.845935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.845935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.845935 (E_RNA)
where:
Base-Base interactions energy: -64.155
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.590
local terms energy: -93.101413
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -4.845
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: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -523.188238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.188238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.188238 (E_RNA)
where:
Base-Base interactions energy: -347.642
where: short stacking energy: -154.535
Base-Backbone interact. energy: -0.145
local terms energy: -175.400849
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -514.046439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.046439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.046439 (E_RNA)
where:
Base-Base interactions energy: -345.773
where: short stacking energy: -146.014
Base-Backbone interact. energy: -0.723
local terms energy: -167.550740
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -42.169
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -501.150619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.150619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.150619 (E_RNA)
where:
Base-Base interactions energy: -347.308
where: short stacking energy: -149.883
Base-Backbone interact. energy: -1.016
local terms energy: -152.827284
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -44.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -494.873171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.873171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.873171 (E_RNA)
where:
Base-Base interactions energy: -335.223
where: short stacking energy: -123.588
Base-Backbone interact. energy: -1.061
local terms energy: -158.589081
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -37.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -446.347198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.347198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.347198 (E_RNA)
where:
Base-Base interactions energy: -304.852
where: short stacking energy: -125.395
Base-Backbone interact. energy: 0.576
local terms energy: -142.070960
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -39.405
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: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -380.448505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.448505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.448505 (E_RNA)
where:
Base-Base interactions energy: -250.560
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.573
local terms energy: -129.315525
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -31.655
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -26.687
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -323.459706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.459706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.459706 (E_RNA)
where:
Base-Base interactions energy: -194.338
where: short stacking energy: -93.385
Base-Backbone interact. energy: -0.231
local terms energy: -128.890568
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -302.367615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.367615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.367615 (E_RNA)
where:
Base-Base interactions energy: -180.264
where: short stacking energy: -89.819
Base-Backbone interact. energy: -0.200
local terms energy: -121.904414
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -26.038
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: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -155.357664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.357664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.357664 (E_RNA)
where:
Base-Base interactions energy: -48.227
where: short stacking energy: -46.404
Base-Backbone interact. energy: 0.993
local terms energy: -108.124278
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -131.820645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.820645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.820645 (E_RNA)
where:
Base-Base interactions energy: -39.877
where: short stacking energy: -27.653
Base-Backbone interact. energy: -1.579
local terms energy: -90.365106
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: 10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -527.847834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.847834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.847834 (E_RNA)
where:
Base-Base interactions energy: -357.809
where: short stacking energy: -152.201
Base-Backbone interact. energy: 0.440
local terms energy: -170.478611
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -46.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -521.674044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.674044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.674044 (E_RNA)
where:
Base-Base interactions energy: -347.875
where: short stacking energy: -151.815
Base-Backbone interact. energy: -0.253
local terms energy: -173.546453
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -29.190
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -28.719
tors. eta vs tors. theta energy: -45.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -495.377788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.377788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.377788 (E_RNA)
where:
Base-Base interactions energy: -327.984
where: short stacking energy: -144.912
Base-Backbone interact. energy: -0.690
local terms energy: -166.703193
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -33.686
flat angles C4'-P-C4' energy: -34.923
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -48.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -460.407167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.407167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.407167 (E_RNA)
where:
Base-Base interactions energy: -308.657
where: short stacking energy: -124.505
Base-Backbone interact. energy: -0.102
local terms energy: -151.648094
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -40.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -475.957208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.957208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.957208 (E_RNA)
where:
Base-Base interactions energy: -323.582
where: short stacking energy: -144.391
Base-Backbone interact. energy: -0.155
local terms energy: -152.219660
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -46.554
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: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -386.193391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.193391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.193391 (E_RNA)
where:
Base-Base interactions energy: -241.090
where: short stacking energy: -105.945
Base-Backbone interact. energy: -0.703
local terms energy: -144.400370
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -30.475
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -347.867844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.867844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.867844 (E_RNA)
where:
Base-Base interactions energy: -222.556
where: short stacking energy: -95.718
Base-Backbone interact. energy: -0.530
local terms energy: -124.781928
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -278.441062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.441062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.441062 (E_RNA)
where:
Base-Base interactions energy: -158.817
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.637
local terms energy: -118.986702
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -12.472
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: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -158.972566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.972566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.972566 (E_RNA)
where:
Base-Base interactions energy: -80.871
where: short stacking energy: -45.254
Base-Backbone interact. energy: -1.098
local terms energy: -77.003544
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -3.034
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: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -126.785362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.785362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.785362 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.657
local terms energy: -87.040294
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -522.233846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.233846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.233846 (E_RNA)
where:
Base-Base interactions energy: -347.260
where: short stacking energy: -151.632
Base-Backbone interact. energy: -0.137
local terms energy: -174.836272
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -33.912
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -46.528
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -509.731585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.731585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.731585 (E_RNA)
where:
Base-Base interactions energy: -349.123
where: short stacking energy: -150.576
Base-Backbone interact. energy: -0.106
local terms energy: -160.502528
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -46.470
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: 370
Temperature: 1.000000
Total energy: -515.692530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.692530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.692530 (E_RNA)
where:
Base-Base interactions energy: -353.370
where: short stacking energy: -155.091
Base-Backbone interact. energy: -0.368
local terms energy: -161.954044
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -49.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -461.967748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.967748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.967748 (E_RNA)
where:
Base-Base interactions energy: -314.314
where: short stacking energy: -137.372
Base-Backbone interact. energy: 1.886
local terms energy: -149.540106
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -42.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -471.131030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.131030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.131030 (E_RNA)
where:
Base-Base interactions energy: -312.823
where: short stacking energy: -127.993
Base-Backbone interact. energy: -2.328
local terms energy: -155.979486
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -42.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -388.448016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.448016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.448016 (E_RNA)
where:
Base-Base interactions energy: -259.555
where: short stacking energy: -104.023
Base-Backbone interact. energy: -0.520
local terms energy: -128.372197
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -35.084
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -333.893126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.893126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.893126 (E_RNA)
where:
Base-Base interactions energy: -203.410
where: short stacking energy: -91.121
Base-Backbone interact. energy: -0.265
local terms energy: -130.217543
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -295.836786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.836786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.836786 (E_RNA)
where:
Base-Base interactions energy: -175.387
where: short stacking energy: -75.822
Base-Backbone interact. energy: -1.061
local terms energy: -119.388229
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -158.445856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.445856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.445856 (E_RNA)
where:
Base-Base interactions energy: -58.366
where: short stacking energy: -46.780
Base-Backbone interact. energy: 0.470
local terms energy: -100.549978
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -183.003344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.003344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.003344 (E_RNA)
where:
Base-Base interactions energy: -94.153
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.556
local terms energy: -88.293829
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -537.618321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.618321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.618321 (E_RNA)
where:
Base-Base interactions energy: -364.919
where: short stacking energy: -143.769
Base-Backbone interact. energy: -0.067
local terms energy: -172.633136
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -45.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -511.013226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.013226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.013226 (E_RNA)
where:
Base-Base interactions energy: -352.044
where: short stacking energy: -144.247
Base-Backbone interact. energy: -0.811
local terms energy: -158.158090
where:
bonds (distance) C4'-P energy: -31.090
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -47.057
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: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -505.236091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.236091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.236091 (E_RNA)
where:
Base-Base interactions energy: -341.931
where: short stacking energy: -143.600
Base-Backbone interact. energy: -0.302
local terms energy: -163.003745
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -42.315
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: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -481.353333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.353333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.353333 (E_RNA)
where:
Base-Base interactions energy: -324.266
where: short stacking energy: -143.633
Base-Backbone interact. energy: -1.009
local terms energy: -156.078693
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -45.693
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: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -422.282193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.282193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.282193 (E_RNA)
where:
Base-Base interactions energy: -287.353
where: short stacking energy: -116.721
Base-Backbone interact. energy: -0.617
local terms energy: -134.311535
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -19.395
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: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -386.530495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.530495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.530495 (E_RNA)
where:
Base-Base interactions energy: -255.657
where: short stacking energy: -105.316
Base-Backbone interact. energy: -0.587
local terms energy: -130.287310
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -17.810
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: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -378.151489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.151489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.151489 (E_RNA)
where:
Base-Base interactions energy: -247.039
where: short stacking energy: -119.999
Base-Backbone interact. energy: -0.637
local terms energy: -130.475428
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -27.115
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -31.915
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -296.608173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.608173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.608173 (E_RNA)
where:
Base-Base interactions energy: -175.918
where: short stacking energy: -79.723
Base-Backbone interact. energy: 1.067
local terms energy: -121.757674
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -144.847055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.847055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.847055 (E_RNA)
where:
Base-Base interactions energy: -64.380
where: short stacking energy: -33.838
Base-Backbone interact. energy: -0.607
local terms energy: -79.859736
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -142.933069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.933069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.933069 (E_RNA)
where:
Base-Base interactions energy: -65.014
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.238
local terms energy: -77.680813
where:
bonds (distance) C4'-P energy: -29.538
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: 6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -527.547132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.547132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.547132 (E_RNA)
where:
Base-Base interactions energy: -353.157
where: short stacking energy: -148.728
Base-Backbone interact. energy: -0.165
local terms energy: -174.224592
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -47.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -511.410559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.410559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.410559 (E_RNA)
where:
Base-Base interactions energy: -349.376
where: short stacking energy: -142.816
Base-Backbone interact. energy: -0.467
local terms energy: -161.567773
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -47.451
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: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -504.671939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.671939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.671939 (E_RNA)
where:
Base-Base interactions energy: -346.371
where: short stacking energy: -137.524
Base-Backbone interact. energy: -0.252
local terms energy: -158.049068
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -39.858
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -496.473555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.473555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.473555 (E_RNA)
where:
Base-Base interactions energy: -335.290
where: short stacking energy: -140.093
Base-Backbone interact. energy: -0.988
local terms energy: -160.196231
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -40.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -430.865198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.865198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.865198 (E_RNA)
where:
Base-Base interactions energy: -284.327
where: short stacking energy: -118.843
Base-Backbone interact. energy: 1.865
local terms energy: -148.403013
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -431.136588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.136588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.136588 (E_RNA)
where:
Base-Base interactions energy: -285.985
where: short stacking energy: -122.967
Base-Backbone interact. energy: -1.797
local terms energy: -143.354886
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -38.610
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: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -368.215082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.215082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.215082 (E_RNA)
where:
Base-Base interactions energy: -229.650
where: short stacking energy: -113.865
Base-Backbone interact. energy: 0.520
local terms energy: -139.084885
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -25.052
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: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -285.789536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.789536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.789536 (E_RNA)
where:
Base-Base interactions energy: -170.812
where: short stacking energy: -82.095
Base-Backbone interact. energy: -0.681
local terms energy: -114.296038
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -32.043
flat angles C4'-P-C4' energy: -32.293
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -18.529
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: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -148.093895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.093895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.093895 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -37.788
Base-Backbone interact. energy: -1.140
local terms energy: -102.237514
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -1.935
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -142.470197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.470197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.470197 (E_RNA)
where:
Base-Base interactions energy: -54.614
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.679
local terms energy: -87.177316
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -527.590506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.590506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.590506 (E_RNA)
where:
Base-Base interactions energy: -358.207
where: short stacking energy: -144.802
Base-Backbone interact. energy: -1.190
local terms energy: -168.192846
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -47.138
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -509.260757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.260757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.260757 (E_RNA)
where:
Base-Base interactions energy: -349.111
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.774
local terms energy: -159.375754
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -33.005
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -45.292
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -502.194659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.194659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.194659 (E_RNA)
where:
Base-Base interactions energy: -348.388
where: short stacking energy: -140.282
Base-Backbone interact. energy: 0.097
local terms energy: -153.904277
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -39.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -504.317371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.317371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.317371 (E_RNA)
where:
Base-Base interactions energy: -343.810
where: short stacking energy: -140.147
Base-Backbone interact. energy: -0.216
local terms energy: -160.290838
where:
bonds (distance) C4'-P energy: -32.687
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -437.366792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.366792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.366792 (E_RNA)
where:
Base-Base interactions energy: -284.657
where: short stacking energy: -136.969
Base-Backbone interact. energy: -0.108
local terms energy: -152.601509
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -39.607
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: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -375.299547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.299547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.299547 (E_RNA)
where:
Base-Base interactions energy: -239.808
where: short stacking energy: -116.033
Base-Backbone interact. energy: -0.169
local terms energy: -135.321859
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -419.980800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.980800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.980800 (E_RNA)
where:
Base-Base interactions energy: -279.880
where: short stacking energy: -124.132
Base-Backbone interact. energy: -1.145
local terms energy: -138.955853
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -37.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -272.723950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.723950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.723950 (E_RNA)
where:
Base-Base interactions energy: -160.383
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.390
local terms energy: -111.951215
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -150.951827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.951827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.951827 (E_RNA)
where:
Base-Base interactions energy: -52.777
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.223
local terms energy: -97.951633
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: 0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -141.621658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.621658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.621658 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -36.298
Base-Backbone interact. energy: 0.917
local terms energy: -99.316468
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -526.665503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.665503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.665503 (E_RNA)
where:
Base-Base interactions energy: -353.596
where: short stacking energy: -156.806
Base-Backbone interact. energy: -0.887
local terms energy: -172.182251
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -49.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -513.640315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.640315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.640315 (E_RNA)
where:
Base-Base interactions energy: -354.246
where: short stacking energy: -152.886
Base-Backbone interact. energy: -1.277
local terms energy: -158.117589
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -49.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -509.939996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.939996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.939996 (E_RNA)
where:
Base-Base interactions energy: -356.416
where: short stacking energy: -140.404
Base-Backbone interact. energy: -0.350
local terms energy: -153.174628
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -44.319
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: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -504.333869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.333869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.333869 (E_RNA)
where:
Base-Base interactions energy: -336.656
where: short stacking energy: -144.803
Base-Backbone interact. energy: 0.318
local terms energy: -167.995885
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -44.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -434.831339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.831339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.831339 (E_RNA)
where:
Base-Base interactions energy: -293.913
where: short stacking energy: -127.276
Base-Backbone interact. energy: -0.475
local terms energy: -140.442764
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -36.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -400.418478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.418478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.418478 (E_RNA)
where:
Base-Base interactions energy: -257.249
where: short stacking energy: -127.237
Base-Backbone interact. energy: -0.337
local terms energy: -142.831871
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -395.527961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.527961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.527961 (E_RNA)
where:
Base-Base interactions energy: -260.658
where: short stacking energy: -99.765
Base-Backbone interact. energy: -1.755
local terms energy: -133.115446
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -36.680
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -294.470049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.470049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.470049 (E_RNA)
where:
Base-Base interactions energy: -182.011
where: short stacking energy: -101.380
Base-Backbone interact. energy: 1.775
local terms energy: -114.233502
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -165.881619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.881619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.881619 (E_RNA)
where:
Base-Base interactions energy: -64.250
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.238
local terms energy: -101.392923
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -141.889589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.889589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.889589 (E_RNA)
where:
Base-Base interactions energy: -55.920
where: short stacking energy: -52.074
Base-Backbone interact. energy: 0.624
local terms energy: -86.593796
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -534.120671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.120671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.120671 (E_RNA)
where:
Base-Base interactions energy: -364.385
where: short stacking energy: -143.680
Base-Backbone interact. energy: -0.171
local terms energy: -169.564530
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -34.328
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -45.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -520.995518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.995518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.995518 (E_RNA)
where:
Base-Base interactions energy: -347.323
where: short stacking energy: -146.278
Base-Backbone interact. energy: -0.020
local terms energy: -173.651991
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -48.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -501.822083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.822083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.822083 (E_RNA)
where:
Base-Base interactions energy: -346.405
where: short stacking energy: -145.689
Base-Backbone interact. energy: -0.283
local terms energy: -155.134499
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -44.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -509.415550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.415550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.415550 (E_RNA)
where:
Base-Base interactions energy: -354.796
where: short stacking energy: -135.516
Base-Backbone interact. energy: -0.346
local terms energy: -154.272812
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -43.323
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: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -436.212253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.212253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.212253 (E_RNA)
where:
Base-Base interactions energy: -276.069
where: short stacking energy: -122.323
Base-Backbone interact. energy: -0.036
local terms energy: -160.107294
where:
bonds (distance) C4'-P energy: -31.807
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -40.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -394.815915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.815915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.815915 (E_RNA)
where:
Base-Base interactions energy: -255.774
where: short stacking energy: -112.758
Base-Backbone interact. energy: -1.078
local terms energy: -137.963862
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -21.969
tors. eta vs tors. theta energy: -34.406
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -381.538332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.538332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.538332 (E_RNA)
where:
Base-Base interactions energy: -242.175
where: short stacking energy: -115.956
Base-Backbone interact. energy: -0.220
local terms energy: -139.144131
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -286.050521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.050521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.050521 (E_RNA)
where:
Base-Base interactions energy: -165.480
where: short stacking energy: -80.453
Base-Backbone interact. energy: -0.298
local terms energy: -120.272909
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -159.434248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.434248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.434248 (E_RNA)
where:
Base-Base interactions energy: -52.916
where: short stacking energy: -46.892
Base-Backbone interact. energy: -1.547
local terms energy: -104.970944
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -148.428397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.428397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.428397 (E_RNA)
where:
Base-Base interactions energy: -45.887
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.171
local terms energy: -102.370604
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -17.462
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: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -521.946524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.946524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.946524 (E_RNA)
where:
Base-Base interactions energy: -345.550
where: short stacking energy: -155.265
Base-Backbone interact. energy: -0.539
local terms energy: -175.856907
where:
bonds (distance) C4'-P energy: -35.135
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -524.596338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.596338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.596338 (E_RNA)
where:
Base-Base interactions energy: -363.720
where: short stacking energy: -152.245
Base-Backbone interact. energy: -0.523
local terms energy: -160.353663
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -29.882
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -50.367
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: 376
Temperature: 1.000000
Total energy: -509.038455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.038455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.038455 (E_RNA)
where:
Base-Base interactions energy: -355.172
where: short stacking energy: -141.762
Base-Backbone interact. energy: 0.376
local terms energy: -154.242223
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -33.614
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -43.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -494.960103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.960103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.960103 (E_RNA)
where:
Base-Base interactions energy: -344.486
where: short stacking energy: -146.514
Base-Backbone interact. energy: -0.031
local terms energy: -150.442579
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -45.437
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -437.386837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.386837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.386837 (E_RNA)
where:
Base-Base interactions energy: -293.218
where: short stacking energy: -125.563
Base-Backbone interact. energy: -1.653
local terms energy: -142.515900
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -24.529
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -431.607666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.607666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.607666 (E_RNA)
where:
Base-Base interactions energy: -289.987
where: short stacking energy: -128.245
Base-Backbone interact. energy: -0.223
local terms energy: -141.397489
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -36.484
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -376.816975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.816975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.816975 (E_RNA)
where:
Base-Base interactions energy: -243.720
where: short stacking energy: -129.821
Base-Backbone interact. energy: -0.210
local terms energy: -132.886636
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -257.025644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.025644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.025644 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -75.334
Base-Backbone interact. energy: 0.083
local terms energy: -111.694744
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -140.064480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.064480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.064480 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -39.991
Base-Backbone interact. energy: -1.502
local terms energy: -97.975492
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -1.298
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -164.771612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.771612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.771612 (E_RNA)
where:
Base-Base interactions energy: -71.992
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.761
local terms energy: -92.019025
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: 3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -518.190602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.190602 (E_RNA)
where:
Base-Base interactions energy: -349.001
where: short stacking energy: -138.842
Base-Backbone interact. energy: -0.381
local terms energy: -168.808922
where:
bonds (distance) C4'-P energy: -35.033
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -40.278
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: 377
Temperature: 0.950000
Total energy: -521.742865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.742865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.742865 (E_RNA)
where:
Base-Base interactions energy: -362.351
where: short stacking energy: -140.693
Base-Backbone interact. energy: -0.440
local terms energy: -158.951480
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -44.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -500.847773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.847773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.847773 (E_RNA)
where:
Base-Base interactions energy: -339.180
where: short stacking energy: -143.904
Base-Backbone interact. energy: -0.225
local terms energy: -161.442901
where:
bonds (distance) C4'-P energy: -27.729
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -40.603
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: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -499.449569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.449569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.449569 (E_RNA)
where:
Base-Base interactions energy: -344.643
where: short stacking energy: -135.067
Base-Backbone interact. energy: -0.542
local terms energy: -154.264237
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -41.314
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -443.377189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.377189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.377189 (E_RNA)
where:
Base-Base interactions energy: -301.224
where: short stacking energy: -126.818
Base-Backbone interact. energy: 1.596
local terms energy: -143.749515
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -37.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -443.987490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.987490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.987490 (E_RNA)
where:
Base-Base interactions energy: -285.685
where: short stacking energy: -128.133
Base-Backbone interact. energy: -0.486
local terms energy: -157.816740
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -27.846
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -39.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -388.086868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.086868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.086868 (E_RNA)
where:
Base-Base interactions energy: -249.899
where: short stacking energy: -118.439
Base-Backbone interact. energy: -0.115
local terms energy: -138.072760
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -32.279
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: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -249.100742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.100742 (E_RNA)
where:
Base-Base interactions energy: -142.628
where: short stacking energy: -73.871
Base-Backbone interact. energy: -0.726
local terms energy: -105.747630
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -136.530709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.530709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.530709 (E_RNA)
where:
Base-Base interactions energy: -54.416
where: short stacking energy: -29.835
Base-Backbone interact. energy: 1.133
local terms energy: -83.246857
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -138.923445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.923445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.923445 (E_RNA)
where:
Base-Base interactions energy: -52.975
where: short stacking energy: -47.866
Base-Backbone interact. energy: 1.362
local terms energy: -87.310147
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -530.365771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.365771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.365771 (E_RNA)
where:
Base-Base interactions energy: -350.961
where: short stacking energy: -149.812
Base-Backbone interact. energy: -0.605
local terms energy: -178.799923
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -50.963
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: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -516.029515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.029515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.029515 (E_RNA)
where:
Base-Base interactions energy: -362.017
where: short stacking energy: -139.665
Base-Backbone interact. energy: -0.039
local terms energy: -153.973253
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -30.609
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -509.355742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.355742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.355742 (E_RNA)
where:
Base-Base interactions energy: -350.729
where: short stacking energy: -143.359
Base-Backbone interact. energy: -0.181
local terms energy: -158.446284
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -41.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -494.602694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.602694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.602694 (E_RNA)
where:
Base-Base interactions energy: -337.630
where: short stacking energy: -141.319
Base-Backbone interact. energy: -0.030
local terms energy: -156.942841
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -428.277513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.277513 (E_RNA)
where:
Base-Base interactions energy: -290.145
where: short stacking energy: -121.846
Base-Backbone interact. energy: -1.411
local terms energy: -136.721937
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -32.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -441.534055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.534055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.534055 (E_RNA)
where:
Base-Base interactions energy: -297.494
where: short stacking energy: -126.207
Base-Backbone interact. energy: -0.025
local terms energy: -144.015186
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -384.188116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.188116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.188116 (E_RNA)
where:
Base-Base interactions energy: -242.973
where: short stacking energy: -111.850
Base-Backbone interact. energy: 0.431
local terms energy: -141.646114
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -35.136
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: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -297.326885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.326885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.326885 (E_RNA)
where:
Base-Base interactions energy: -177.233
where: short stacking energy: -87.109
Base-Backbone interact. energy: -0.437
local terms energy: -119.657138
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -31.356
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -158.662305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.662305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.662305 (E_RNA)
where:
Base-Base interactions energy: -65.810
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.489
local terms energy: -92.363569
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -138.990331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.990331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.990331 (E_RNA)
where:
Base-Base interactions energy: -64.482
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.426
local terms energy: -74.081829
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -540.361039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.361039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.361039 (E_RNA)
where:
Base-Base interactions energy: -373.506
where: short stacking energy: -156.072
Base-Backbone interact. energy: -0.664
local terms energy: -166.191611
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -45.203
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: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -517.633715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.633715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.633715 (E_RNA)
where:
Base-Base interactions energy: -347.913
where: short stacking energy: -150.745
Base-Backbone interact. energy: -0.264
local terms energy: -169.456435
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -49.892
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -501.262704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.262704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.262704 (E_RNA)
where:
Base-Base interactions energy: -345.348
where: short stacking energy: -146.962
Base-Backbone interact. energy: -0.095
local terms energy: -155.819626
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -449.483397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.483397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.483397 (E_RNA)
where:
Base-Base interactions energy: -306.424
where: short stacking energy: -131.852
Base-Backbone interact. energy: -0.975
local terms energy: -142.085253
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -38.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -490.947381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.947381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.947381 (E_RNA)
where:
Base-Base interactions energy: -331.521
where: short stacking energy: -137.936
Base-Backbone interact. energy: -0.045
local terms energy: -159.382032
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -44.536
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -421.379835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.379835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.379835 (E_RNA)
where:
Base-Base interactions energy: -285.486
where: short stacking energy: -128.998
Base-Backbone interact. energy: -0.071
local terms energy: -135.822746
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -30.375
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -39.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -376.775035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.775035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.775035 (E_RNA)
where:
Base-Base interactions energy: -241.437
where: short stacking energy: -111.465
Base-Backbone interact. energy: -0.215
local terms energy: -135.123825
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -32.309
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: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -292.375086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.375086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.375086 (E_RNA)
where:
Base-Base interactions energy: -174.665
where: short stacking energy: -89.608
Base-Backbone interact. energy: -1.007
local terms energy: -116.703010
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -137.854426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.854426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.854426 (E_RNA)
where:
Base-Base interactions energy: -45.675
where: short stacking energy: -43.019
Base-Backbone interact. energy: 0.884
local terms energy: -93.063273
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: 2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -140.325355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.325355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.325355 (E_RNA)
where:
Base-Base interactions energy: -55.928
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.651
local terms energy: -83.746637
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: 1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -544.229060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.229060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.229060 (E_RNA)
where:
Base-Base interactions energy: -376.723
where: short stacking energy: -153.030
Base-Backbone interact. energy: -1.421
local terms energy: -166.084533
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -46.436
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -515.340111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.340111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.340111 (E_RNA)
where:
Base-Base interactions energy: -346.944
where: short stacking energy: -143.575
Base-Backbone interact. energy: -0.226
local terms energy: -168.170120
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -44.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -524.209839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.209839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.209839 (E_RNA)
where:
Base-Base interactions energy: -352.957
where: short stacking energy: -150.120
Base-Backbone interact. energy: -0.835
local terms energy: -170.417330
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -44.641
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: 380
Temperature: 1.050000
Total energy: -444.347144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.347144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.347144 (E_RNA)
where:
Base-Base interactions energy: -304.348
where: short stacking energy: -129.717
Base-Backbone interact. energy: -1.674
local terms energy: -138.324565
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -33.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -472.750846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.750846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.750846 (E_RNA)
where:
Base-Base interactions energy: -316.803
where: short stacking energy: -141.515
Base-Backbone interact. energy: -2.551
local terms energy: -153.396434
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -425.558883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.558883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.558883 (E_RNA)
where:
Base-Base interactions energy: -273.048
where: short stacking energy: -117.324
Base-Backbone interact. energy: 0.569
local terms energy: -153.079076
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -19.382
tors. eta vs tors. theta energy: -41.687
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: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -370.425303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.425303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.425303 (E_RNA)
where:
Base-Base interactions energy: -243.301
where: short stacking energy: -117.357
Base-Backbone interact. energy: 1.091
local terms energy: -128.215255
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -33.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -325.882665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.882665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.882665 (E_RNA)
where:
Base-Base interactions energy: -205.448
where: short stacking energy: -109.859
Base-Backbone interact. energy: -0.395
local terms energy: -120.039243
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -160.895809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.895809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.895809 (E_RNA)
where:
Base-Base interactions energy: -63.274
where: short stacking energy: -39.575
Base-Backbone interact. energy: -0.347
local terms energy: -97.275087
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -137.383607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.383607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.383607 (E_RNA)
where:
Base-Base interactions energy: -53.972
where: short stacking energy: -35.814
Base-Backbone interact. energy: 0.229
local terms energy: -83.640725
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: 6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -534.643954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.643954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.643954 (E_RNA)
where:
Base-Base interactions energy: -368.437
where: short stacking energy: -146.114
Base-Backbone interact. energy: -0.064
local terms energy: -166.142745
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -47.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -520.194627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.194627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.194627 (E_RNA)
where:
Base-Base interactions energy: -344.738
where: short stacking energy: -150.398
Base-Backbone interact. energy: -0.127
local terms energy: -175.329746
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -35.978
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -525.277051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.277051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.277051 (E_RNA)
where:
Base-Base interactions energy: -361.165
where: short stacking energy: -160.606
Base-Backbone interact. energy: -0.295
local terms energy: -163.816647
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -489.832627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.832627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.832627 (E_RNA)
where:
Base-Base interactions energy: -340.383
where: short stacking energy: -144.056
Base-Backbone interact. energy: -1.762
local terms energy: -147.688386
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -37.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -458.656530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.656530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.656530 (E_RNA)
where:
Base-Base interactions energy: -299.328
where: short stacking energy: -132.913
Base-Backbone interact. energy: -2.717
local terms energy: -156.611733
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -41.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -447.124495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.124495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.124495 (E_RNA)
where:
Base-Base interactions energy: -293.323
where: short stacking energy: -123.711
Base-Backbone interact. energy: 0.638
local terms energy: -154.438668
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -41.908
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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -371.771414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.771414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.771414 (E_RNA)
where:
Base-Base interactions energy: -230.677
where: short stacking energy: -108.010
Base-Backbone interact. energy: -0.158
local terms energy: -140.937143
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -17.664
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: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -326.852699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.852699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.852699 (E_RNA)
where:
Base-Base interactions energy: -200.769
where: short stacking energy: -95.916
Base-Backbone interact. energy: -0.931
local terms energy: -125.153313
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -29.470
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: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -157.139136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.139136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.139136 (E_RNA)
where:
Base-Base interactions energy: -72.485
where: short stacking energy: -62.315
Base-Backbone interact. energy: 1.255
local terms energy: -85.908164
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -141.306758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.306758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.306758 (E_RNA)
where:
Base-Base interactions energy: -60.493
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.776
local terms energy: -80.038185
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -16.396
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: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -534.206697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.206697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.206697 (E_RNA)
where:
Base-Base interactions energy: -365.160
where: short stacking energy: -159.857
Base-Backbone interact. energy: -0.013
local terms energy: -169.034013
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -527.015569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.015569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.015569 (E_RNA)
where:
Base-Base interactions energy: -365.673
where: short stacking energy: -147.739
Base-Backbone interact. energy: -0.141
local terms energy: -161.202139
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -43.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -518.035090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.035090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.035090 (E_RNA)
where:
Base-Base interactions energy: -352.054
where: short stacking energy: -147.205
Base-Backbone interact. energy: -1.048
local terms energy: -164.933437
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -42.977
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: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -503.307990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.307990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.307990 (E_RNA)
where:
Base-Base interactions energy: -333.867
where: short stacking energy: -138.541
Base-Backbone interact. energy: -0.012
local terms energy: -169.429375
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -46.213
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: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -443.166036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.166036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.166036 (E_RNA)
where:
Base-Base interactions energy: -292.317
where: short stacking energy: -122.252
Base-Backbone interact. energy: -0.145
local terms energy: -150.704356
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -39.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -434.761590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.761590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.761590 (E_RNA)
where:
Base-Base interactions energy: -308.977
where: short stacking energy: -134.674
Base-Backbone interact. energy: -0.689
local terms energy: -125.096066
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -40.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -380.711102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.711102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.711102 (E_RNA)
where:
Base-Base interactions energy: -243.864
where: short stacking energy: -113.295
Base-Backbone interact. energy: -0.802
local terms energy: -136.044368
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -21.561
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -306.599051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.599051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.599051 (E_RNA)
where:
Base-Base interactions energy: -178.128
where: short stacking energy: -87.466
Base-Backbone interact. energy: -1.053
local terms energy: -127.418673
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -141.138992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.138992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.138992 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.310
local terms energy: -90.079125
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -28.625
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -145.533905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.533905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.533905 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -49.103
Base-Backbone interact. energy: 0.396
local terms energy: -95.741966
where:
bonds (distance) C4'-P energy: -33.242
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: 3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -540.325468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.325468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.325468 (E_RNA)
where:
Base-Base interactions energy: -373.022
where: short stacking energy: -164.612
Base-Backbone interact. energy: -0.927
local terms energy: -166.376391
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -37.486
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -47.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -529.959816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.959816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.959816 (E_RNA)
where:
Base-Base interactions energy: -371.155
where: short stacking energy: -150.802
Base-Backbone interact. energy: -0.468
local terms energy: -158.337305
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -42.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -528.020958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.020958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.020958 (E_RNA)
where:
Base-Base interactions energy: -368.929
where: short stacking energy: -148.035
Base-Backbone interact. energy: 0.181
local terms energy: -159.272963
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -40.385
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -496.845152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.845152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.845152 (E_RNA)
where:
Base-Base interactions energy: -333.997
where: short stacking energy: -139.840
Base-Backbone interact. energy: 0.976
local terms energy: -163.824443
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -44.115
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: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -456.940080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.940080 (E_RNA)
where:
Base-Base interactions energy: -307.913
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.595
local terms energy: -148.431647
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -41.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -416.020108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.020108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.020108 (E_RNA)
where:
Base-Base interactions energy: -276.974
where: short stacking energy: -113.959
Base-Backbone interact. energy: -0.509
local terms energy: -138.536923
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -382.235598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.235598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.235598 (E_RNA)
where:
Base-Base interactions energy: -255.016
where: short stacking energy: -111.720
Base-Backbone interact. energy: 0.316
local terms energy: -127.535103
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -28.979
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: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -322.401674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.401674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.401674 (E_RNA)
where:
Base-Base interactions energy: -190.809
where: short stacking energy: -100.831
Base-Backbone interact. energy: -0.777
local terms energy: -130.815985
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -144.221046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.221046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.221046 (E_RNA)
where:
Base-Base interactions energy: -57.941
where: short stacking energy: -57.999
Base-Backbone interact. energy: 0.421
local terms energy: -86.701068
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -144.888744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.888744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.888744 (E_RNA)
where:
Base-Base interactions energy: -58.107
where: short stacking energy: -33.167
Base-Backbone interact. energy: 1.445
local terms energy: -88.226643
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -30.421
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -538.262230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.262230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.262230 (E_RNA)
where:
Base-Base interactions energy: -371.859
where: short stacking energy: -150.349
Base-Backbone interact. energy: -0.192
local terms energy: -166.211660
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -527.642784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.642784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.642784 (E_RNA)
where:
Base-Base interactions energy: -366.714
where: short stacking energy: -160.907
Base-Backbone interact. energy: -0.222
local terms energy: -160.707685
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -50.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -521.444820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.444820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.444820 (E_RNA)
where:
Base-Base interactions energy: -362.095
where: short stacking energy: -149.145
Base-Backbone interact. energy: -0.519
local terms energy: -158.830390
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -42.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -497.773584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.773584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.773584 (E_RNA)
where:
Base-Base interactions energy: -337.462
where: short stacking energy: -143.326
Base-Backbone interact. energy: -0.082
local terms energy: -160.230401
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -46.583
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: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -458.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.256122 (E_RNA)
where:
Base-Base interactions energy: -300.774
where: short stacking energy: -134.136
Base-Backbone interact. energy: -0.094
local terms energy: -157.387998
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -34.221
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -43.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -426.078844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.078844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.078844 (E_RNA)
where:
Base-Base interactions energy: -288.642
where: short stacking energy: -121.877
Base-Backbone interact. energy: -0.466
local terms energy: -136.971672
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -40.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -384.287746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.287746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.287746 (E_RNA)
where:
Base-Base interactions energy: -258.485
where: short stacking energy: -102.737
Base-Backbone interact. energy: -0.799
local terms energy: -125.003812
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -28.600
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -25.183
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -309.747966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.747966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.747966 (E_RNA)
where:
Base-Base interactions energy: -204.568
where: short stacking energy: -104.174
Base-Backbone interact. energy: 2.938
local terms energy: -108.117395
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -167.156334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.156334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.156334 (E_RNA)
where:
Base-Base interactions energy: -87.327
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.403
local terms energy: -79.425955
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -7.342
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: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -171.623909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.623909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.623909 (E_RNA)
where:
Base-Base interactions energy: -80.754
where: short stacking energy: -49.315
Base-Backbone interact. energy: -0.165
local terms energy: -90.705345
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -539.812423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.812423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.812423 (E_RNA)
where:
Base-Base interactions energy: -371.508
where: short stacking energy: -157.099
Base-Backbone interact. energy: -0.086
local terms energy: -168.218962
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -524.644112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.644112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.644112 (E_RNA)
where:
Base-Base interactions energy: -355.555
where: short stacking energy: -157.077
Base-Backbone interact. energy: -0.329
local terms energy: -168.760216
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -48.462
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -501.409889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.409889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.409889 (E_RNA)
where:
Base-Base interactions energy: -333.121
where: short stacking energy: -148.627
Base-Backbone interact. energy: -0.146
local terms energy: -168.142866
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -36.418
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -45.380
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -492.185798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.185798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.185798 (E_RNA)
where:
Base-Base interactions energy: -331.705
where: short stacking energy: -143.412
Base-Backbone interact. energy: -0.016
local terms energy: -160.465339
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -30.942
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -44.438
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -447.475587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.475587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.475587 (E_RNA)
where:
Base-Base interactions energy: -301.710
where: short stacking energy: -121.387
Base-Backbone interact. energy: -0.129
local terms energy: -145.636390
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -42.383
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: 385
Temperature: 1.150000
Total energy: -428.859245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.859245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.859245 (E_RNA)
where:
Base-Base interactions energy: -283.745
where: short stacking energy: -129.906
Base-Backbone interact. energy: -1.579
local terms energy: -143.534984
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -34.107
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: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -332.733844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.733844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.733844 (E_RNA)
where:
Base-Base interactions energy: -203.791
where: short stacking energy: -96.442
Base-Backbone interact. energy: -1.201
local terms energy: -127.741781
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -278.359869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.359869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.359869 (E_RNA)
where:
Base-Base interactions energy: -173.714
where: short stacking energy: -81.757
Base-Backbone interact. energy: -0.358
local terms energy: -104.287916
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -11.929
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: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -146.706664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.706664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.706664 (E_RNA)
where:
Base-Base interactions energy: -46.477
where: short stacking energy: -38.993
Base-Backbone interact. energy: -0.606
local terms energy: -99.623504
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -152.143428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.143428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.143428 (E_RNA)
where:
Base-Base interactions energy: -46.198
where: short stacking energy: -44.563
Base-Backbone interact. energy: 0.277
local terms energy: -106.222437
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -533.679261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.679261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.679261 (E_RNA)
where:
Base-Base interactions energy: -366.563
where: short stacking energy: -149.538
Base-Backbone interact. energy: 1.559
local terms energy: -168.675301
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -33.311
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -43.464
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -521.162855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.162855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.162855 (E_RNA)
where:
Base-Base interactions energy: -354.872
where: short stacking energy: -155.584
Base-Backbone interact. energy: -0.393
local terms energy: -165.898385
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: -47.868
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -508.542239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.542239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.542239 (E_RNA)
where:
Base-Base interactions energy: -341.101
where: short stacking energy: -149.897
Base-Backbone interact. energy: 2.202
local terms energy: -169.643359
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -501.763136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.763136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.763136 (E_RNA)
where:
Base-Base interactions energy: -355.951
where: short stacking energy: -142.164
Base-Backbone interact. energy: -0.475
local terms energy: -145.337320
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -40.110
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: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -420.936686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.936686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.936686 (E_RNA)
where:
Base-Base interactions energy: -270.842
where: short stacking energy: -125.489
Base-Backbone interact. energy: -0.496
local terms energy: -149.599310
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -424.710121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.710121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.710121 (E_RNA)
where:
Base-Base interactions energy: -281.812
where: short stacking energy: -109.759
Base-Backbone interact. energy: -0.201
local terms energy: -142.697481
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -30.171
flat angles C4'-P-C4' energy: -32.556
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -33.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -320.241137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.241137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.241137 (E_RNA)
where:
Base-Base interactions energy: -199.303
where: short stacking energy: -102.452
Base-Backbone interact. energy: 0.703
local terms energy: -121.640991
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -22.380
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -217.965623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.965623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.965623 (E_RNA)
where:
Base-Base interactions energy: -119.518
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.224
local terms energy: -98.223411
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: 0.309
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: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -170.876066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876066 (E_RNA)
where:
Base-Base interactions energy: -66.308
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.220
local terms energy: -104.347827
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: 0.234
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -144.035846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.035846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.035846 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -34.419
Base-Backbone interact. energy: -1.187
local terms energy: -109.529447
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -533.260255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.260255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.260255 (E_RNA)
where:
Base-Base interactions energy: -368.058
where: short stacking energy: -155.800
Base-Backbone interact. energy: -0.152
local terms energy: -165.050273
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -509.668977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.668977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.668977 (E_RNA)
where:
Base-Base interactions energy: -349.106
where: short stacking energy: -140.603
Base-Backbone interact. energy: -0.345
local terms energy: -160.217784
where:
bonds (distance) C4'-P energy: -25.598
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -521.390648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.390648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.390648 (E_RNA)
where:
Base-Base interactions energy: -354.081
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.241
local terms energy: -167.068460
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -34.438
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -495.989508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.989508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.989508 (E_RNA)
where:
Base-Base interactions energy: -341.248
where: short stacking energy: -132.703
Base-Backbone interact. energy: -1.205
local terms energy: -153.536779
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -32.539
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -40.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -419.131400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.131400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.131400 (E_RNA)
where:
Base-Base interactions energy: -278.222
where: short stacking energy: -114.456
Base-Backbone interact. energy: -0.988
local terms energy: -139.921991
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -30.163
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -23.362
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -403.012488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.012488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.012488 (E_RNA)
where:
Base-Base interactions energy: -258.113
where: short stacking energy: -110.572
Base-Backbone interact. energy: -1.229
local terms energy: -143.671037
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -34.247
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: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -328.289447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.289447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.289447 (E_RNA)
where:
Base-Base interactions energy: -208.932
where: short stacking energy: -106.534
Base-Backbone interact. energy: -0.345
local terms energy: -119.012616
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -238.299926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.299926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.299926 (E_RNA)
where:
Base-Base interactions energy: -135.741
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.403
local terms energy: -102.155444
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -16.510
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: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -142.799804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.799804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.799804 (E_RNA)
where:
Base-Base interactions energy: -52.817
where: short stacking energy: -36.428
Base-Backbone interact. energy: 0.064
local terms energy: -90.046894
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: 9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -132.724708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.724708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.724708 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.395
local terms energy: -95.865899
where:
bonds (distance) C4'-P energy: -29.633
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: 3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -538.348517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.348517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.348517 (E_RNA)
where:
Base-Base interactions energy: -367.337
where: short stacking energy: -155.948
Base-Backbone interact. energy: -0.699
local terms energy: -170.311964
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -32.379
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -48.778
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: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -520.974524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.974524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.974524 (E_RNA)
where:
Base-Base interactions energy: -351.849
where: short stacking energy: -146.743
Base-Backbone interact. energy: 0.955
local terms energy: -170.080183
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -45.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -523.033545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.033545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.033545 (E_RNA)
where:
Base-Base interactions energy: -354.107
where: short stacking energy: -146.196
Base-Backbone interact. energy: 1.185
local terms energy: -170.112212
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -47.466
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -497.446291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.446291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.446291 (E_RNA)
where:
Base-Base interactions energy: -344.658
where: short stacking energy: -142.087
Base-Backbone interact. energy: -0.080
local terms energy: -152.708780
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -42.381
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -417.575657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.575657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.575657 (E_RNA)
where:
Base-Base interactions energy: -280.836
where: short stacking energy: -123.592
Base-Backbone interact. energy: 0.068
local terms energy: -136.807973
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -418.971371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.971371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.971371 (E_RNA)
where:
Base-Base interactions energy: -271.629
where: short stacking energy: -115.306
Base-Backbone interact. energy: -1.049
local terms energy: -146.292885
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -344.532016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.532016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.532016 (E_RNA)
where:
Base-Base interactions energy: -213.300
where: short stacking energy: -106.753
Base-Backbone interact. energy: -0.330
local terms energy: -130.902232
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -31.647
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -230.380247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.380247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.380247 (E_RNA)
where:
Base-Base interactions energy: -120.693
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.952
local terms energy: -108.735368
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -149.951983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.951983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.951983 (E_RNA)
where:
Base-Base interactions energy: -60.038
where: short stacking energy: -56.068
Base-Backbone interact. energy: 0.189
local terms energy: -90.102730
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -144.984271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.984271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.984271 (E_RNA)
where:
Base-Base interactions energy: -52.552
where: short stacking energy: -34.815
Base-Backbone interact. energy: -1.386
local terms energy: -91.046179
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: 3.754
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: 389
Temperature: 0.900000
Total energy: -524.185631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.185631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.185631 (E_RNA)
where:
Base-Base interactions energy: -345.826
where: short stacking energy: -138.881
Base-Backbone interact. energy: -0.723
local terms energy: -177.636678
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -34.850
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -47.367
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: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -520.760581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.760581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.760581 (E_RNA)
where:
Base-Base interactions energy: -355.609
where: short stacking energy: -144.753
Base-Backbone interact. energy: -0.338
local terms energy: -164.814246
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -34.550
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -44.884
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: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -523.850548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.850548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.850548 (E_RNA)
where:
Base-Base interactions energy: -359.012
where: short stacking energy: -155.221
Base-Backbone interact. energy: -0.088
local terms energy: -164.750427
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -508.977406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.977406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.977406 (E_RNA)
where:
Base-Base interactions energy: -348.743
where: short stacking energy: -155.585
Base-Backbone interact. energy: 1.759
local terms energy: -161.993383
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -45.142
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: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -429.477957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.477957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.477957 (E_RNA)
where:
Base-Base interactions energy: -285.440
where: short stacking energy: -112.354
Base-Backbone interact. energy: -0.044
local terms energy: -143.994014
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -39.364
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: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -428.751016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.751016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.751016 (E_RNA)
where:
Base-Base interactions energy: -285.033
where: short stacking energy: -117.433
Base-Backbone interact. energy: -0.691
local terms energy: -143.026261
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -30.622
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -39.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -325.636788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.636788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.636788 (E_RNA)
where:
Base-Base interactions energy: -200.035
where: short stacking energy: -94.268
Base-Backbone interact. energy: -0.952
local terms energy: -124.650121
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -22.313
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: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -229.862730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862730 (E_RNA)
where:
Base-Base interactions energy: -123.428
where: short stacking energy: -69.130
Base-Backbone interact. energy: -0.265
local terms energy: -106.169590
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -8.281
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: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -137.411411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.411411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.411411 (E_RNA)
where:
Base-Base interactions energy: -43.004
where: short stacking energy: -32.484
Base-Backbone interact. energy: 6.080
local terms energy: -100.487641
where:
bonds (distance) C4'-P energy: -32.051
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: 7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -144.669427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.669427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.669427 (E_RNA)
where:
Base-Base interactions energy: -57.330
where: short stacking energy: -29.523
Base-Backbone interact. energy: 1.152
local terms energy: -88.491635
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -11.313
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: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -529.697695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.697695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.697695 (E_RNA)
where:
Base-Base interactions energy: -361.804
where: short stacking energy: -135.418
Base-Backbone interact. energy: -1.335
local terms energy: -166.558799
where:
bonds (distance) C4'-P energy: -34.252
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -38.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -515.186194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.186194 (E_RNA)
where:
Base-Base interactions energy: -350.525
where: short stacking energy: -150.734
Base-Backbone interact. energy: -0.165
local terms energy: -164.495747
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -32.805
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -47.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -523.341000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.341000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.341000 (E_RNA)
where:
Base-Base interactions energy: -354.011
where: short stacking energy: -158.844
Base-Backbone interact. energy: -0.197
local terms energy: -169.132122
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -36.212
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -46.137
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: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -500.547690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.547690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.547690 (E_RNA)
where:
Base-Base interactions energy: -343.151
where: short stacking energy: -137.399
Base-Backbone interact. energy: -0.128
local terms energy: -157.269287
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -44.552
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -437.644625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.644625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.644625 (E_RNA)
where:
Base-Base interactions energy: -288.448
where: short stacking energy: -135.568
Base-Backbone interact. energy: 1.523
local terms energy: -150.720317
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -411.447593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.447593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.447593 (E_RNA)
where:
Base-Base interactions energy: -273.602
where: short stacking energy: -115.928
Base-Backbone interact. energy: -0.829
local terms energy: -137.016710
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -32.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -341.289605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.289605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.289605 (E_RNA)
where:
Base-Base interactions energy: -205.626
where: short stacking energy: -81.573
Base-Backbone interact. energy: -1.323
local terms energy: -134.340341
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -20.073
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: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -211.870285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.870285 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -61.200
Base-Backbone interact. energy: 2.202
local terms energy: -105.908352
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -177.164008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.164008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.164008 (E_RNA)
where:
Base-Base interactions energy: -86.323
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.432
local terms energy: -90.408953
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -140.610191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.610191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.610191 (E_RNA)
where:
Base-Base interactions energy: -55.186
where: short stacking energy: -47.745
Base-Backbone interact. energy: 2.404
local terms energy: -87.828152
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -530.700197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.700197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.700197 (E_RNA)
where:
Base-Base interactions energy: -361.854
where: short stacking energy: -154.466
Base-Backbone interact. energy: -0.174
local terms energy: -168.673002
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -46.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -516.180988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.180988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.180988 (E_RNA)
where:
Base-Base interactions energy: -358.838
where: short stacking energy: -148.875
Base-Backbone interact. energy: -0.704
local terms energy: -156.638679
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -46.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -524.373899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.373899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.373899 (E_RNA)
where:
Base-Base interactions energy: -352.746
where: short stacking energy: -152.426
Base-Backbone interact. energy: -0.414
local terms energy: -171.213727
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -52.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -492.091990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.091990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.091990 (E_RNA)
where:
Base-Base interactions energy: -333.612
where: short stacking energy: -136.976
Base-Backbone interact. energy: -0.507
local terms energy: -157.973417
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -437.537203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.537203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.537203 (E_RNA)
where:
Base-Base interactions energy: -293.717
where: short stacking energy: -117.692
Base-Backbone interact. energy: -0.136
local terms energy: -143.684012
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -39.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -403.391438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.391438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.391438 (E_RNA)
where:
Base-Base interactions energy: -258.092
where: short stacking energy: -124.754
Base-Backbone interact. energy: -0.592
local terms energy: -144.706804
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -36.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -332.056912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.056912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.056912 (E_RNA)
where:
Base-Base interactions energy: -200.646
where: short stacking energy: -87.551
Base-Backbone interact. energy: -0.862
local terms energy: -130.548865
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -30.286
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -276.042443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.042443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.042443 (E_RNA)
where:
Base-Base interactions energy: -167.793
where: short stacking energy: -97.555
Base-Backbone interact. energy: 0.345
local terms energy: -108.594855
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -143.828918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.828918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.828918 (E_RNA)
where:
Base-Base interactions energy: -53.302
where: short stacking energy: -34.775
Base-Backbone interact. energy: -0.325
local terms energy: -90.201629
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -30.776
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -126.330928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.330928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.330928 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -26.386
Base-Backbone interact. energy: -0.755
local terms energy: -93.908095
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -528.589189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.589189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.589189 (E_RNA)
where:
Base-Base interactions energy: -368.667
where: short stacking energy: -155.972
Base-Backbone interact. energy: 0.715
local terms energy: -160.636574
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -40.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -527.329538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.329538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.329538 (E_RNA)
where:
Base-Base interactions energy: -362.172
where: short stacking energy: -154.846
Base-Backbone interact. energy: 0.677
local terms energy: -165.834688
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -48.644
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: 392
Temperature: 1.000000
Total energy: -523.045311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.045311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.045311 (E_RNA)
where:
Base-Base interactions energy: -353.489
where: short stacking energy: -154.729
Base-Backbone interact. energy: -0.015
local terms energy: -169.542016
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -50.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -492.347673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.347673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.347673 (E_RNA)
where:
Base-Base interactions energy: -336.494
where: short stacking energy: -147.812
Base-Backbone interact. energy: -1.915
local terms energy: -153.939201
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -47.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -450.284391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.284391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.284391 (E_RNA)
where:
Base-Base interactions energy: -302.046
where: short stacking energy: -143.780
Base-Backbone interact. energy: -0.122
local terms energy: -148.116336
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -30.959
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -44.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -382.870800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.870800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.870800 (E_RNA)
where:
Base-Base interactions energy: -253.357
where: short stacking energy: -108.558
Base-Backbone interact. energy: -0.105
local terms energy: -129.408280
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -29.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -335.575545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.575545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.575545 (E_RNA)
where:
Base-Base interactions energy: -207.626
where: short stacking energy: -99.982
Base-Backbone interact. energy: -1.036
local terms energy: -126.913316
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -251.133396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.133396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.133396 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.077
local terms energy: -108.273374
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -145.103578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.103578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.103578 (E_RNA)
where:
Base-Base interactions energy: -48.881
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.661
local terms energy: -95.561205
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -16.978
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: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -149.859694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.859694 (E_RNA)
where:
Base-Base interactions energy: -53.650
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.446
local terms energy: -95.763833
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -29.687
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -538.046087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.046087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.046087 (E_RNA)
where:
Base-Base interactions energy: -366.881
where: short stacking energy: -136.801
Base-Backbone interact. energy: -0.407
local terms energy: -170.757447
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -28.839
tors. eta vs tors. theta energy: -39.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -531.588162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.588162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.588162 (E_RNA)
where:
Base-Base interactions energy: -365.367
where: short stacking energy: -155.962
Base-Backbone interact. energy: -0.890
local terms energy: -165.331326
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -47.786
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: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -526.643842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.643842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.643842 (E_RNA)
where:
Base-Base interactions energy: -358.265
where: short stacking energy: -153.450
Base-Backbone interact. energy: -0.119
local terms energy: -168.259701
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -50.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -490.957084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.957084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.957084 (E_RNA)
where:
Base-Base interactions energy: -343.468
where: short stacking energy: -155.411
Base-Backbone interact. energy: -0.112
local terms energy: -147.377444
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -28.728
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -45.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -443.426998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.426998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.426998 (E_RNA)
where:
Base-Base interactions energy: -294.936
where: short stacking energy: -125.812
Base-Backbone interact. energy: 0.338
local terms energy: -148.828386
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -21.021
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: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -372.262727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.262727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.262727 (E_RNA)
where:
Base-Base interactions energy: -249.127
where: short stacking energy: -111.427
Base-Backbone interact. energy: -1.177
local terms energy: -121.959228
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -16.666
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -315.186091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.186091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.186091 (E_RNA)
where:
Base-Base interactions energy: -197.453
where: short stacking energy: -89.807
Base-Backbone interact. energy: -0.071
local terms energy: -117.662048
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -22.016
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: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -260.845966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.845966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.845966 (E_RNA)
where:
Base-Base interactions energy: -155.197
where: short stacking energy: -69.601
Base-Backbone interact. energy: -1.287
local terms energy: -104.361446
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -152.521531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.521531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.521531 (E_RNA)
where:
Base-Base interactions energy: -57.141
where: short stacking energy: -55.396
Base-Backbone interact. energy: 0.618
local terms energy: -95.998371
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -135.707373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.707373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.707373 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -45.202
Base-Backbone interact. energy: -0.555
local terms energy: -86.710477
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -17.231
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: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -541.789641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.789641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.789641 (E_RNA)
where:
Base-Base interactions energy: -376.354
where: short stacking energy: -151.558
Base-Backbone interact. energy: -0.661
local terms energy: -164.774010
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -42.070
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: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -528.064295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.064295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.064295 (E_RNA)
where:
Base-Base interactions energy: -361.586
where: short stacking energy: -151.124
Base-Backbone interact. energy: -0.511
local terms energy: -165.967155
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -33.575
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -500.947682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.947682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.947682 (E_RNA)
where:
Base-Base interactions energy: -340.128
where: short stacking energy: -144.277
Base-Backbone interact. energy: 0.567
local terms energy: -161.387471
where:
bonds (distance) C4'-P energy: -31.733
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -34.999
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -44.471
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: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -515.285201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.285201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.285201 (E_RNA)
where:
Base-Base interactions energy: -350.158
where: short stacking energy: -147.314
Base-Backbone interact. energy: -0.227
local terms energy: -164.899994
where:
bonds (distance) C4'-P energy: -29.832
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -451.096536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.096536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.096536 (E_RNA)
where:
Base-Base interactions energy: -308.001
where: short stacking energy: -134.660
Base-Backbone interact. energy: -0.764
local terms energy: -142.331539
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -38.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -395.869274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.869274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.869274 (E_RNA)
where:
Base-Base interactions energy: -269.576
where: short stacking energy: -115.235
Base-Backbone interact. energy: 0.308
local terms energy: -126.600510
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -34.117
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -328.572956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.572956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.572956 (E_RNA)
where:
Base-Base interactions energy: -197.478
where: short stacking energy: -87.295
Base-Backbone interact. energy: -1.043
local terms energy: -130.052561
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -280.910935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.910935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.910935 (E_RNA)
where:
Base-Base interactions energy: -173.273
where: short stacking energy: -85.524
Base-Backbone interact. energy: -0.203
local terms energy: -107.434950
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -18.836
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -183.302922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.302922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.302922 (E_RNA)
where:
Base-Base interactions energy: -94.062
where: short stacking energy: -49.244
Base-Backbone interact. energy: 0.116
local terms energy: -89.356669
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -141.554108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.554108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.554108 (E_RNA)
where:
Base-Base interactions energy: -42.332
where: short stacking energy: -36.800
Base-Backbone interact. energy: -2.327
local terms energy: -96.894416
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -17.720
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -538.679692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.679692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.679692 (E_RNA)
where:
Base-Base interactions energy: -378.040
where: short stacking energy: -149.461
Base-Backbone interact. energy: -0.768
local terms energy: -159.872517
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -39.365
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: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -508.331840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.331840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.331840 (E_RNA)
where:
Base-Base interactions energy: -346.073
where: short stacking energy: -143.420
Base-Backbone interact. energy: -0.338
local terms energy: -161.920664
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -43.809
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: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -523.845054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.845054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.845054 (E_RNA)
where:
Base-Base interactions energy: -370.212
where: short stacking energy: -148.995
Base-Backbone interact. energy: -0.090
local terms energy: -153.543827
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -47.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -501.146301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.146301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.146301 (E_RNA)
where:
Base-Base interactions energy: -345.024
where: short stacking energy: -152.193
Base-Backbone interact. energy: -0.301
local terms energy: -155.821260
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -450.863305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.863305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.863305 (E_RNA)
where:
Base-Base interactions energy: -296.117
where: short stacking energy: -127.998
Base-Backbone interact. energy: -0.170
local terms energy: -154.576493
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -328.165203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.165203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.165203 (E_RNA)
where:
Base-Base interactions energy: -193.829
where: short stacking energy: -89.159
Base-Backbone interact. energy: -0.354
local terms energy: -133.982228
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -399.826984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.826984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.826984 (E_RNA)
where:
Base-Base interactions energy: -260.845
where: short stacking energy: -100.876
Base-Backbone interact. energy: -0.178
local terms energy: -138.803679
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -31.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -323.040422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.040422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.040422 (E_RNA)
where:
Base-Base interactions energy: -219.043
where: short stacking energy: -100.053
Base-Backbone interact. energy: -0.394
local terms energy: -103.603530
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -21.016
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: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -139.361973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.361973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.361973 (E_RNA)
where:
Base-Base interactions energy: -40.887
where: short stacking energy: -38.092
Base-Backbone interact. energy: -0.544
local terms energy: -97.931103
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -147.953672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.953672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.953672 (E_RNA)
where:
Base-Base interactions energy: -54.888
where: short stacking energy: -54.241
Base-Backbone interact. energy: -0.675
local terms energy: -92.390499
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -528.194243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.194243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.194243 (E_RNA)
where:
Base-Base interactions energy: -369.956
where: short stacking energy: -146.893
Base-Backbone interact. energy: -0.541
local terms energy: -157.696998
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -45.029
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: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -516.399855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.399855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.399855 (E_RNA)
where:
Base-Base interactions energy: -361.016
where: short stacking energy: -140.788
Base-Backbone interact. energy: -0.108
local terms energy: -155.276285
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -537.251113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.251113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.251113 (E_RNA)
where:
Base-Base interactions energy: -368.605
where: short stacking energy: -155.296
Base-Backbone interact. energy: -0.332
local terms energy: -168.313196
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -33.771
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -516.228240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.228240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.228240 (E_RNA)
where:
Base-Base interactions energy: -349.648
where: short stacking energy: -145.976
Base-Backbone interact. energy: -0.533
local terms energy: -166.047476
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -48.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -436.376256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.376256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.376256 (E_RNA)
where:
Base-Base interactions energy: -308.750
where: short stacking energy: -127.546
Base-Backbone interact. energy: -0.459
local terms energy: -127.166335
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -38.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -328.574739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.574739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.574739 (E_RNA)
where:
Base-Base interactions energy: -201.836
where: short stacking energy: -97.641
Base-Backbone interact. energy: -0.523
local terms energy: -126.215822
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -24.275
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -389.382754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.382754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.382754 (E_RNA)
where:
Base-Base interactions energy: -256.487
where: short stacking energy: -110.373
Base-Backbone interact. energy: -0.562
local terms energy: -132.333589
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -16.696
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: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -320.420718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.420718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.420718 (E_RNA)
where:
Base-Base interactions energy: -193.197
where: short stacking energy: -96.689
Base-Backbone interact. energy: -0.155
local terms energy: -127.068974
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -149.839397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.839397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.839397 (E_RNA)
where:
Base-Base interactions energy: -60.804
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.452
local terms energy: -88.583329
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -139.988101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.988101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.988101 (E_RNA)
where:
Base-Base interactions energy: -45.166
where: short stacking energy: -34.490
Base-Backbone interact. energy: 0.182
local terms energy: -95.004122
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -520.415033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.415033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.415033 (E_RNA)
where:
Base-Base interactions energy: -350.330
where: short stacking energy: -147.511
Base-Backbone interact. energy: 0.619
local terms energy: -170.703188
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -32.756
flat angles C4'-P-C4' energy: -35.397
flat angles P-C4'-P energy: -19.753
tors. eta vs tors. theta energy: -46.699
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -516.145764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.145764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.145764 (E_RNA)
where:
Base-Base interactions energy: -367.739
where: short stacking energy: -145.654
Base-Backbone interact. energy: 1.889
local terms energy: -150.295569
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -25.259
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -48.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -518.404608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.404608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.404608 (E_RNA)
where:
Base-Base interactions energy: -361.015
where: short stacking energy: -134.367
Base-Backbone interact. energy: -0.185
local terms energy: -157.204305
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -44.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -494.616381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.616381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.616381 (E_RNA)
where:
Base-Base interactions energy: -347.123
where: short stacking energy: -142.884
Base-Backbone interact. energy: -0.416
local terms energy: -147.077393
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -40.926
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -430.167869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.167869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.167869 (E_RNA)
where:
Base-Base interactions energy: -293.105
where: short stacking energy: -130.328
Base-Backbone interact. energy: -0.137
local terms energy: -136.926451
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -43.761
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: 397
Temperature: 1.150000
Total energy: -391.150811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.150811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.150811 (E_RNA)
where:
Base-Base interactions energy: -264.562
where: short stacking energy: -111.810
Base-Backbone interact. energy: 0.920
local terms energy: -127.509420
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -309.437866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.437866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.437866 (E_RNA)
where:
Base-Base interactions energy: -187.485
where: short stacking energy: -81.040
Base-Backbone interact. energy: -1.523
local terms energy: -120.429548
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -17.785
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -311.888412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.888412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.888412 (E_RNA)
where:
Base-Base interactions energy: -180.311
where: short stacking energy: -93.880
Base-Backbone interact. energy: -0.508
local terms energy: -131.069483
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -26.177
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -155.445374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.445374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.445374 (E_RNA)
where:
Base-Base interactions energy: -64.536
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.268
local terms energy: -90.641326
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -136.062692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.062692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.062692 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.232
local terms energy: -88.510551
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -26.584
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -523.879106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.879106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.879106 (E_RNA)
where:
Base-Base interactions energy: -361.778
where: short stacking energy: -149.693
Base-Backbone interact. energy: 0.813
local terms energy: -162.913589
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -518.500912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.500912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.500912 (E_RNA)
where:
Base-Base interactions energy: -360.668
where: short stacking energy: -139.523
Base-Backbone interact. energy: -0.556
local terms energy: -157.277148
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -32.397
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -43.483
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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -516.610098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.610098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.610098 (E_RNA)
where:
Base-Base interactions energy: -351.900
where: short stacking energy: -146.558
Base-Backbone interact. energy: -0.522
local terms energy: -164.188091
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -47.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -500.178191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.178191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.178191 (E_RNA)
where:
Base-Base interactions energy: -341.366
where: short stacking energy: -147.959
Base-Backbone interact. energy: -0.004
local terms energy: -158.808054
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -46.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -439.382749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.382749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.382749 (E_RNA)
where:
Base-Base interactions energy: -283.002
where: short stacking energy: -123.099
Base-Backbone interact. energy: 1.327
local terms energy: -157.708356
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -421.216872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.216872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.216872 (E_RNA)
where:
Base-Base interactions energy: -274.991
where: short stacking energy: -113.201
Base-Backbone interact. energy: -0.289
local terms energy: -145.936938
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -32.810
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -36.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -332.618187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.618187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.618187 (E_RNA)
where:
Base-Base interactions energy: -196.516
where: short stacking energy: -99.861
Base-Backbone interact. energy: -0.905
local terms energy: -135.197745
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -303.513719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.513719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.513719 (E_RNA)
where:
Base-Base interactions energy: -192.205
where: short stacking energy: -93.311
Base-Backbone interact. energy: -0.428
local terms energy: -110.880636
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -24.537
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -159.798865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.798865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.798865 (E_RNA)
where:
Base-Base interactions energy: -68.438
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.202
local terms energy: -91.159156
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -138.515898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.515898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.515898 (E_RNA)
where:
Base-Base interactions energy: -52.261
where: short stacking energy: -43.414
Base-Backbone interact. energy: -0.566
local terms energy: -85.688358
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: 1.600
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: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -530.213309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.213309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.213309 (E_RNA)
where:
Base-Base interactions energy: -354.702
where: short stacking energy: -151.122
Base-Backbone interact. energy: -0.021
local terms energy: -175.490581
where:
bonds (distance) C4'-P energy: -33.142
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -49.824
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -527.438956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.438956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.438956 (E_RNA)
where:
Base-Base interactions energy: -359.419
where: short stacking energy: -142.467
Base-Backbone interact. energy: -0.037
local terms energy: -167.983204
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -33.015
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -43.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -512.204845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.204845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.204845 (E_RNA)
where:
Base-Base interactions energy: -350.616
where: short stacking energy: -138.757
Base-Backbone interact. energy: -0.029
local terms energy: -161.559741
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -34.567
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -41.536
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -436.386776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.386776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.386776 (E_RNA)
where:
Base-Base interactions energy: -277.573
where: short stacking energy: -127.610
Base-Backbone interact. energy: -0.031
local terms energy: -158.783160
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -491.061845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.061845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.061845 (E_RNA)
where:
Base-Base interactions energy: -338.756
where: short stacking energy: -141.802
Base-Backbone interact. energy: -0.078
local terms energy: -152.227699
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -40.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -418.380512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.380512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.380512 (E_RNA)
where:
Base-Base interactions energy: -265.813
where: short stacking energy: -119.718
Base-Backbone interact. energy: -0.018
local terms energy: -152.548814
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -40.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -340.753944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.753944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.753944 (E_RNA)
where:
Base-Base interactions energy: -209.959
where: short stacking energy: -99.715
Base-Backbone interact. energy: -0.217
local terms energy: -130.577999
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -22.681
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: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -268.806334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.806334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.806334 (E_RNA)
where:
Base-Base interactions energy: -150.634
where: short stacking energy: -68.530
Base-Backbone interact. energy: -1.393
local terms energy: -116.779833
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -130.541248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.541248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.541248 (E_RNA)
where:
Base-Base interactions energy: -49.097
where: short stacking energy: -44.179
Base-Backbone interact. energy: 1.178
local terms energy: -82.621999
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: 5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -141.057333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.057333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.057333 (E_RNA)
where:
Base-Base interactions energy: -45.043
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.043
local terms energy: -95.971647
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -19.931
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -531.668972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.668972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.668972 (E_RNA)
where:
Base-Base interactions energy: -365.986
where: short stacking energy: -147.657
Base-Backbone interact. energy: 0.055
local terms energy: -165.738126
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -44.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -517.309346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.309346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.309346 (E_RNA)
where:
Base-Base interactions energy: -357.662
where: short stacking energy: -145.967
Base-Backbone interact. energy: -0.046
local terms energy: -159.601262
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -45.501
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -519.975617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.975617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.975617 (E_RNA)
where:
Base-Base interactions energy: -363.884
where: short stacking energy: -153.730
Base-Backbone interact. energy: -0.539
local terms energy: -155.552890
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -42.243
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -436.278213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.278213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.278213 (E_RNA)
where:
Base-Base interactions energy: -298.770
where: short stacking energy: -139.530
Base-Backbone interact. energy: -0.048
local terms energy: -137.460439
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -42.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -503.270293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.270293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.270293 (E_RNA)
where:
Base-Base interactions energy: -339.941
where: short stacking energy: -144.865
Base-Backbone interact. energy: -0.124
local terms energy: -163.204884
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -48.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -415.967663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.967663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.967663 (E_RNA)
where:
Base-Base interactions energy: -271.491
where: short stacking energy: -113.685
Base-Backbone interact. energy: 0.643
local terms energy: -145.120251
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -39.467
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -311.100393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.100393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.100393 (E_RNA)
where:
Base-Base interactions energy: -193.051
where: short stacking energy: -94.312
Base-Backbone interact. energy: 0.500
local terms energy: -118.549092
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -240.444067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.444067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.444067 (E_RNA)
where:
Base-Base interactions energy: -139.985
where: short stacking energy: -68.393
Base-Backbone interact. energy: -1.209
local terms energy: -99.250010
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -144.554328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.554328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.554328 (E_RNA)
where:
Base-Base interactions energy: -48.046
where: short stacking energy: -44.631
Base-Backbone interact. energy: -0.643
local terms energy: -95.865482
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -145.624327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.624327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.624327 (E_RNA)
where:
Base-Base interactions energy: -77.227
where: short stacking energy: -39.662
Base-Backbone interact. energy: 1.046
local terms energy: -69.444018
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -543.682868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.682868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.682868 (E_RNA)
where:
Base-Base interactions energy: -370.731
where: short stacking energy: -151.585
Base-Backbone interact. energy: -0.567
local terms energy: -172.385031
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -35.065
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -504.680948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.680948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.680948 (E_RNA)
where:
Base-Base interactions energy: -346.765
where: short stacking energy: -147.329
Base-Backbone interact. energy: -0.486
local terms energy: -157.429681
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -33.415
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -40.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -504.314641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.314641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.314641 (E_RNA)
where:
Base-Base interactions energy: -346.176
where: short stacking energy: -155.637
Base-Backbone interact. energy: -0.030
local terms energy: -158.108087
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -44.047
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: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -505.715891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.715891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.715891 (E_RNA)
where:
Base-Base interactions energy: -338.153
where: short stacking energy: -143.317
Base-Backbone interact. energy: -0.917
local terms energy: -166.645740
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -42.930
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: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -435.600316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.600316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.600316 (E_RNA)
where:
Base-Base interactions energy: -288.704
where: short stacking energy: -121.722
Base-Backbone interact. energy: 1.719
local terms energy: -148.614747
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -36.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -409.306999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.306999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.306999 (E_RNA)
where:
Base-Base interactions energy: -272.460
where: short stacking energy: -123.757
Base-Backbone interact. energy: -0.731
local terms energy: -136.116325
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -22.340
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: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -316.993087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.993087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.993087 (E_RNA)
where:
Base-Base interactions energy: -196.267
where: short stacking energy: -87.811
Base-Backbone interact. energy: -0.051
local terms energy: -120.674938
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -18.514
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: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -152.966440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.966440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.966440 (E_RNA)
where:
Base-Base interactions energy: -51.453
where: short stacking energy: -42.836
Base-Backbone interact. energy: 0.670
local terms energy: -102.183197
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -227.113593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.113593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.113593 (E_RNA)
where:
Base-Base interactions energy: -122.541
where: short stacking energy: -67.659
Base-Backbone interact. energy: 1.237
local terms energy: -105.809673
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -134.105855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.105855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.105855 (E_RNA)
where:
Base-Base interactions energy: -44.074
where: short stacking energy: -30.207
Base-Backbone interact. energy: 0.225
local terms energy: -90.256640
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -540.990477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.990477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.990477 (E_RNA)
where:
Base-Base interactions energy: -370.387
where: short stacking energy: -147.922
Base-Backbone interact. energy: -0.140
local terms energy: -170.464036
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -30.649
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -43.027
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: 402
Temperature: 0.950000
Total energy: -509.697816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.697816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.697816 (E_RNA)
where:
Base-Base interactions energy: -349.406
where: short stacking energy: -152.186
Base-Backbone interact. energy: -0.126
local terms energy: -160.166342
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -27.312
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -44.744
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: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -509.794309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.794309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.794309 (E_RNA)
where:
Base-Base interactions energy: -347.998
where: short stacking energy: -138.735
Base-Backbone interact. energy: -0.435
local terms energy: -161.361558
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -29.350
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -42.067
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: 402
Temperature: 1.050000
Total energy: -504.152641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.152641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.152641 (E_RNA)
where:
Base-Base interactions energy: -353.458
where: short stacking energy: -147.656
Base-Backbone interact. energy: -0.225
local terms energy: -150.470189
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -45.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -436.363226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.363226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.363226 (E_RNA)
where:
Base-Base interactions energy: -273.425
where: short stacking energy: -127.063
Base-Backbone interact. energy: -0.159
local terms energy: -162.778886
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -40.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -429.928300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.928300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.928300 (E_RNA)
where:
Base-Base interactions energy: -302.115
where: short stacking energy: -124.725
Base-Backbone interact. energy: -0.324
local terms energy: -127.489194
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -31.379
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -317.632220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.632220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.632220 (E_RNA)
where:
Base-Base interactions energy: -199.238
where: short stacking energy: -94.453
Base-Backbone interact. energy: -0.813
local terms energy: -117.580438
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -27.445
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -165.608782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.608782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.608782 (E_RNA)
where:
Base-Base interactions energy: -66.420
where: short stacking energy: -53.383
Base-Backbone interact. energy: 1.252
local terms energy: -100.440561
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -230.422016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422016 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.856
local terms energy: -97.788425
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -141.268389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.268389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.268389 (E_RNA)
where:
Base-Base interactions energy: -45.247
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.219
local terms energy: -95.802171
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: 3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -544.506528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.506528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.506528 (E_RNA)
where:
Base-Base interactions energy: -375.150
where: short stacking energy: -160.450
Base-Backbone interact. energy: 0.973
local terms energy: -170.329556
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -45.214
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: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -519.530504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.530504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.530504 (E_RNA)
where:
Base-Base interactions energy: -346.418
where: short stacking energy: -149.763
Base-Backbone interact. energy: 0.066
local terms energy: -173.178667
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -50.947
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: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -523.501407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.501407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.501407 (E_RNA)
where:
Base-Base interactions energy: -357.910
where: short stacking energy: -154.195
Base-Backbone interact. energy: -0.286
local terms energy: -165.305102
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -50.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -521.392900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.392900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.392900 (E_RNA)
where:
Base-Base interactions energy: -368.494
where: short stacking energy: -142.379
Base-Backbone interact. energy: -0.654
local terms energy: -152.244468
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -444.664514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.664514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.664514 (E_RNA)
where:
Base-Base interactions energy: -303.745
where: short stacking energy: -137.098
Base-Backbone interact. energy: -0.256
local terms energy: -140.664392
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -29.683
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -40.936
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: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -432.099531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.099531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.099531 (E_RNA)
where:
Base-Base interactions energy: -295.898
where: short stacking energy: -132.636
Base-Backbone interact. energy: -0.141
local terms energy: -136.059884
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -26.809
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -39.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -303.133850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.133850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.133850 (E_RNA)
where:
Base-Base interactions energy: -180.188
where: short stacking energy: -85.861
Base-Backbone interact. energy: 0.106
local terms energy: -123.052045
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -218.811224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.811224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.811224 (E_RNA)
where:
Base-Base interactions energy: -121.382
where: short stacking energy: -72.081
Base-Backbone interact. energy: -1.249
local terms energy: -96.180457
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -30.370
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -150.994653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.994653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.994653 (E_RNA)
where:
Base-Base interactions energy: -68.273
where: short stacking energy: -39.847
Base-Backbone interact. energy: -0.627
local terms energy: -82.094621
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: 5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -130.205111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.205111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.205111 (E_RNA)
where:
Base-Base interactions energy: -56.547
where: short stacking energy: -41.095
Base-Backbone interact. energy: 0.626
local terms energy: -74.284134
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: 5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -526.062246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.062246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.062246 (E_RNA)
where:
Base-Base interactions energy: -350.947
where: short stacking energy: -156.977
Base-Backbone interact. energy: -0.033
local terms energy: -175.081500
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -35.942
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -50.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -527.240567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.240567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.240567 (E_RNA)
where:
Base-Base interactions energy: -366.886
where: short stacking energy: -153.805
Base-Backbone interact. energy: -0.347
local terms energy: -160.007291
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -44.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -521.577129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.577129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.577129 (E_RNA)
where:
Base-Base interactions energy: -367.848
where: short stacking energy: -148.737
Base-Backbone interact. energy: -0.092
local terms energy: -153.636919
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -519.672535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.672535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.672535 (E_RNA)
where:
Base-Base interactions energy: -358.880
where: short stacking energy: -147.186
Base-Backbone interact. energy: -0.293
local terms energy: -160.499134
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -46.253
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -427.452668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.452668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.452668 (E_RNA)
where:
Base-Base interactions energy: -280.557
where: short stacking energy: -125.577
Base-Backbone interact. energy: -0.219
local terms energy: -146.676315
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -37.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -400.763861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.763861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.763861 (E_RNA)
where:
Base-Base interactions energy: -275.906
where: short stacking energy: -109.105
Base-Backbone interact. energy: 2.701
local terms energy: -127.558992
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -17.801
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -323.065244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.065244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.065244 (E_RNA)
where:
Base-Base interactions energy: -190.571
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.511
local terms energy: -131.982711
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -18.461
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: 404
Temperature: 1.250000
Total energy: -254.309959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.309959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.309959 (E_RNA)
where:
Base-Base interactions energy: -127.301
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.099
local terms energy: -126.909751
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -142.595790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.595790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.595790 (E_RNA)
where:
Base-Base interactions energy: -51.310
where: short stacking energy: -49.143
Base-Backbone interact. energy: 1.022
local terms energy: -92.307606
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -141.459536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.459536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.459536 (E_RNA)
where:
Base-Base interactions energy: -46.862
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.788
local terms energy: -93.809264
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -521.660259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.660259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.660259 (E_RNA)
where:
Base-Base interactions energy: -345.816
where: short stacking energy: -148.373
Base-Backbone interact. energy: -1.483
local terms energy: -174.361595
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -50.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -517.808691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.808691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.808691 (E_RNA)
where:
Base-Base interactions energy: -348.952
where: short stacking energy: -149.409
Base-Backbone interact. energy: -0.740
local terms energy: -168.116245
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -46.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -500.085401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.085401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.085401 (E_RNA)
where:
Base-Base interactions energy: -333.315
where: short stacking energy: -141.664
Base-Backbone interact. energy: -0.972
local terms energy: -165.798973
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -44.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -506.411760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.411760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.411760 (E_RNA)
where:
Base-Base interactions energy: -347.713
where: short stacking energy: -146.272
Base-Backbone interact. energy: -0.089
local terms energy: -158.610566
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -40.122
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -443.553021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.553021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.553021 (E_RNA)
where:
Base-Base interactions energy: -301.716
where: short stacking energy: -126.925
Base-Backbone interact. energy: -0.033
local terms energy: -141.804608
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -39.256
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -400.868185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.868185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.868185 (E_RNA)
where:
Base-Base interactions energy: -274.243
where: short stacking energy: -111.802
Base-Backbone interact. energy: 3.806
local terms energy: -130.431586
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -333.324435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.324435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.324435 (E_RNA)
where:
Base-Base interactions energy: -205.933
where: short stacking energy: -91.679
Base-Backbone interact. energy: 0.967
local terms energy: -128.358268
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -148.034991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.034991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.034991 (E_RNA)
where:
Base-Base interactions energy: -64.581
where: short stacking energy: -39.152
Base-Backbone interact. energy: 2.029
local terms energy: -85.482870
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -211.893707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.893707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.893707 (E_RNA)
where:
Base-Base interactions energy: -116.859
where: short stacking energy: -54.435
Base-Backbone interact. energy: -1.547
local terms energy: -93.487672
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -136.068328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.068328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.068328 (E_RNA)
where:
Base-Base interactions energy: -60.546
where: short stacking energy: -40.911
Base-Backbone interact. energy: 0.071
local terms energy: -75.593466
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -13.941
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: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -523.398627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.398627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.398627 (E_RNA)
where:
Base-Base interactions energy: -361.626
where: short stacking energy: -145.817
Base-Backbone interact. energy: -0.287
local terms energy: -161.485119
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -35.395
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -44.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -530.399519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.399519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.399519 (E_RNA)
where:
Base-Base interactions energy: -360.789
where: short stacking energy: -157.338
Base-Backbone interact. energy: -0.064
local terms energy: -169.546879
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -47.143
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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -516.713377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.713377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.713377 (E_RNA)
where:
Base-Base interactions energy: -347.213
where: short stacking energy: -151.680
Base-Backbone interact. energy: 0.008
local terms energy: -169.507717
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -44.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -503.388275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.388275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.388275 (E_RNA)
where:
Base-Base interactions energy: -347.702
where: short stacking energy: -142.647
Base-Backbone interact. energy: 0.512
local terms energy: -156.198142
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -42.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -465.511020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.511020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.511020 (E_RNA)
where:
Base-Base interactions energy: -324.329
where: short stacking energy: -140.029
Base-Backbone interact. energy: -0.420
local terms energy: -140.761593
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -38.041
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -408.538180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.538180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.538180 (E_RNA)
where:
Base-Base interactions energy: -271.253
where: short stacking energy: -116.063
Base-Backbone interact. energy: -0.386
local terms energy: -136.898756
where:
bonds (distance) C4'-P energy: -26.105
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -15.896
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: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -338.968198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.968198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.968198 (E_RNA)
where:
Base-Base interactions energy: -227.086
where: short stacking energy: -105.842
Base-Backbone interact. energy: -0.198
local terms energy: -111.684516
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -164.737589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.737589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.737589 (E_RNA)
where:
Base-Base interactions energy: -59.364
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.220
local terms energy: -105.153670
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -150.230097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.230097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.230097 (E_RNA)
where:
Base-Base interactions energy: -53.385
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.731
local terms energy: -96.114761
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -9.713
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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -200.669476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.669476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.669476 (E_RNA)
where:
Base-Base interactions energy: -106.297
where: short stacking energy: -61.699
Base-Backbone interact. energy: 0.209
local terms energy: -94.581909
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -12.240
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: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -531.882691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.882691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.882691 (E_RNA)
where:
Base-Base interactions energy: -365.619
where: short stacking energy: -145.667
Base-Backbone interact. energy: -0.385
local terms energy: -165.877809
where:
bonds (distance) C4'-P energy: -32.125
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -45.931
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: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -526.415511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.415511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.415511 (E_RNA)
where:
Base-Base interactions energy: -364.955
where: short stacking energy: -150.486
Base-Backbone interact. energy: -0.389
local terms energy: -161.071382
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -42.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -515.303419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.303419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.303419 (E_RNA)
where:
Base-Base interactions energy: -354.525
where: short stacking energy: -150.432
Base-Backbone interact. energy: -0.041
local terms energy: -160.736995
where:
bonds (distance) C4'-P energy: -30.886
bonds (distance) P-C4' energy: -28.518
flat angles C4'-P-C4' energy: -32.856
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -490.543717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.543717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.543717 (E_RNA)
where:
Base-Base interactions energy: -334.432
where: short stacking energy: -138.096
Base-Backbone interact. energy: -0.411
local terms energy: -155.700286
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -33.197
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -442.065643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.065643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.065643 (E_RNA)
where:
Base-Base interactions energy: -293.931
where: short stacking energy: -128.540
Base-Backbone interact. energy: -0.261
local terms energy: -147.873095
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -24.797
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: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -410.036040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.036040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.036040 (E_RNA)
where:
Base-Base interactions energy: -281.617
where: short stacking energy: -116.609
Base-Backbone interact. energy: 0.750
local terms energy: -129.169218
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -31.585
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: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -308.768092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.768092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.768092 (E_RNA)
where:
Base-Base interactions energy: -188.591
where: short stacking energy: -95.748
Base-Backbone interact. energy: -0.105
local terms energy: -120.071763
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -146.910074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.910074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.910074 (E_RNA)
where:
Base-Base interactions energy: -49.736
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.652
local terms energy: -96.522693
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: 1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -156.567055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.567055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.567055 (E_RNA)
where:
Base-Base interactions energy: -51.644
where: short stacking energy: -43.870
Base-Backbone interact. energy: 0.097
local terms energy: -105.020663
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: 2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -143.321802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.321802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.321802 (E_RNA)
where:
Base-Base interactions energy: -63.448
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.464
local terms energy: -79.410072
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -27.783
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -524.147556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.147556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.147556 (E_RNA)
where:
Base-Base interactions energy: -362.599
where: short stacking energy: -156.292
Base-Backbone interact. energy: -0.126
local terms energy: -161.422442
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -522.274557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.274557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.274557 (E_RNA)
where:
Base-Base interactions energy: -356.320
where: short stacking energy: -154.666
Base-Backbone interact. energy: -2.002
local terms energy: -163.952134
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -507.380640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.380640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.380640 (E_RNA)
where:
Base-Base interactions energy: -348.219
where: short stacking energy: -158.230
Base-Backbone interact. energy: -1.024
local terms energy: -158.137872
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -47.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -500.348910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.348910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.348910 (E_RNA)
where:
Base-Base interactions energy: -352.879
where: short stacking energy: -144.498
Base-Backbone interact. energy: -0.423
local terms energy: -147.046827
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -428.204104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.204104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.204104 (E_RNA)
where:
Base-Base interactions energy: -294.721
where: short stacking energy: -132.561
Base-Backbone interact. energy: -0.635
local terms energy: -132.847433
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -38.148
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -442.333737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.333737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.333737 (E_RNA)
where:
Base-Base interactions energy: -294.683
where: short stacking energy: -127.169
Base-Backbone interact. energy: 0.267
local terms energy: -147.918133
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -37.261
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: 408
Temperature: 1.200000
Total energy: -315.259525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.259525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.259525 (E_RNA)
where:
Base-Base interactions energy: -194.462
where: short stacking energy: -92.237
Base-Backbone interact. energy: -0.635
local terms energy: -120.162835
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -16.160
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: 408
Temperature: 1.250000
Total energy: -159.637946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.637946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.637946 (E_RNA)
where:
Base-Base interactions energy: -65.476
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.338
local terms energy: -93.824053
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -147.213336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.213336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.213336 (E_RNA)
where:
Base-Base interactions energy: -54.846
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.221
local terms energy: -92.146944
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -12.380
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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -142.048994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.048994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.048994 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -42.443
Base-Backbone interact. energy: -0.864
local terms energy: -91.804739
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -526.516797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.516797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.516797 (E_RNA)
where:
Base-Base interactions energy: -357.337
where: short stacking energy: -156.673
Base-Backbone interact. energy: -0.506
local terms energy: -168.673533
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -523.544154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.544154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.544154 (E_RNA)
where:
Base-Base interactions energy: -360.076
where: short stacking energy: -159.462
Base-Backbone interact. energy: -0.766
local terms energy: -162.701724
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -29.573
flat angles C4'-P-C4' energy: -34.808
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -49.306
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: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -510.453339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.453339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.453339 (E_RNA)
where:
Base-Base interactions energy: -354.902
where: short stacking energy: -144.813
Base-Backbone interact. energy: -0.105
local terms energy: -155.446136
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: -44.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -489.505514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.505514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.505514 (E_RNA)
where:
Base-Base interactions energy: -337.106
where: short stacking energy: -142.244
Base-Backbone interact. energy: -1.532
local terms energy: -150.866721
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -38.452
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: 409
Temperature: 1.100000
Total energy: -421.625300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.625300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.625300 (E_RNA)
where:
Base-Base interactions energy: -284.751
where: short stacking energy: -130.746
Base-Backbone interact. energy: -0.120
local terms energy: -136.753983
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -16.734
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: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -421.468402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.468402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.468402 (E_RNA)
where:
Base-Base interactions energy: -272.510
where: short stacking energy: -119.941
Base-Backbone interact. energy: -0.329
local terms energy: -148.628971
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -39.008
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: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -303.021194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.021194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.021194 (E_RNA)
where:
Base-Base interactions energy: -175.657
where: short stacking energy: -78.845
Base-Backbone interact. energy: -1.059
local terms energy: -126.305297
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -156.779434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.779434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.779434 (E_RNA)
where:
Base-Base interactions energy: -68.824
where: short stacking energy: -55.110
Base-Backbone interact. energy: 1.840
local terms energy: -89.795678
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -151.802335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.802335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.802335 (E_RNA)
where:
Base-Base interactions energy: -65.644
where: short stacking energy: -46.987
Base-Backbone interact. energy: 0.104
local terms energy: -86.263080
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -136.036111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.036111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.036111 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.394
local terms energy: -77.551014
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -0.663
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: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -524.226020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.226020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.226020 (E_RNA)
where:
Base-Base interactions energy: -348.925
where: short stacking energy: -151.642
Base-Backbone interact. energy: -1.093
local terms energy: -174.207848
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -49.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -522.920759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.920759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.920759 (E_RNA)
where:
Base-Base interactions energy: -350.126
where: short stacking energy: -150.305
Base-Backbone interact. energy: -0.093
local terms energy: -172.702391
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -29.960
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -50.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -513.514436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.514436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.514436 (E_RNA)
where:
Base-Base interactions energy: -359.323
where: short stacking energy: -142.513
Base-Backbone interact. energy: -0.412
local terms energy: -153.779619
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -506.615875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.615875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.615875 (E_RNA)
where:
Base-Base interactions energy: -341.046
where: short stacking energy: -138.638
Base-Backbone interact. energy: -1.911
local terms energy: -163.659240
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -41.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -431.975968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.975968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.975968 (E_RNA)
where:
Base-Base interactions energy: -281.259
where: short stacking energy: -121.109
Base-Backbone interact. energy: -0.625
local terms energy: -150.091832
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: -37.873
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -397.310749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.310749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.310749 (E_RNA)
where:
Base-Base interactions energy: -262.754
where: short stacking energy: -113.301
Base-Backbone interact. energy: 0.922
local terms energy: -135.478344
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -39.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -318.032276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.032276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.032276 (E_RNA)
where:
Base-Base interactions energy: -193.241
where: short stacking energy: -95.007
Base-Backbone interact. energy: -0.210
local terms energy: -124.580854
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -23.498
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -159.796451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.796451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.796451 (E_RNA)
where:
Base-Base interactions energy: -57.641
where: short stacking energy: -52.892
Base-Backbone interact. energy: 0.492
local terms energy: -102.647017
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -150.959074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.959074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.959074 (E_RNA)
where:
Base-Base interactions energy: -57.224
where: short stacking energy: -43.457
Base-Backbone interact. energy: -0.514
local terms energy: -93.221015
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -141.777785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.777785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.777785 (E_RNA)
where:
Base-Base interactions energy: -47.010
where: short stacking energy: -43.868
Base-Backbone interact. energy: -0.014
local terms energy: -94.753457
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -522.748361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.748361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.748361 (E_RNA)
where:
Base-Base interactions energy: -351.633
where: short stacking energy: -153.846
Base-Backbone interact. energy: 0.109
local terms energy: -171.224613
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -49.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -526.868403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.868403 (E_RNA)
where:
Base-Base interactions energy: -362.013
where: short stacking energy: -147.404
Base-Backbone interact. energy: -0.264
local terms energy: -164.591853
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -43.178
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -511.900043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.900043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.900043 (E_RNA)
where:
Base-Base interactions energy: -340.142
where: short stacking energy: -152.957
Base-Backbone interact. energy: -1.148
local terms energy: -170.610164
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -49.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -510.942719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.942719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.942719 (E_RNA)
where:
Base-Base interactions energy: -353.120
where: short stacking energy: -142.672
Base-Backbone interact. energy: -0.137
local terms energy: -157.686541
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -44.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -436.418944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.418944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.418944 (E_RNA)
where:
Base-Base interactions energy: -297.978
where: short stacking energy: -126.568
Base-Backbone interact. energy: -0.257
local terms energy: -138.184372
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -31.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -365.514868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.514868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.514868 (E_RNA)
where:
Base-Base interactions energy: -233.217
where: short stacking energy: -107.952
Base-Backbone interact. energy: -0.705
local terms energy: -131.592177
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -27.291
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -27.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -361.744082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.744082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.744082 (E_RNA)
where:
Base-Base interactions energy: -237.534
where: short stacking energy: -101.305
Base-Backbone interact. energy: -1.810
local terms energy: -122.400855
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -165.389017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.389017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.389017 (E_RNA)
where:
Base-Base interactions energy: -55.239
where: short stacking energy: -42.977
Base-Backbone interact. energy: -0.518
local terms energy: -109.631990
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -150.132589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.132589 (E_RNA)
where:
Base-Base interactions energy: -63.402
where: short stacking energy: -48.679
Base-Backbone interact. energy: 0.070
local terms energy: -86.799990
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -130.931505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.931505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.931505 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -31.473
Base-Backbone interact. energy: 0.645
local terms energy: -99.285193
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: 6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -527.332771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.332771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.332771 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -145.571
Base-Backbone interact. energy: -0.448
local terms energy: -152.760865
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -40.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -518.487278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.487278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.487278 (E_RNA)
where:
Base-Base interactions energy: -355.874
where: short stacking energy: -142.111
Base-Backbone interact. energy: -0.197
local terms energy: -162.416593
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -35.403
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -43.780
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: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -505.348450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.348450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.348450 (E_RNA)
where:
Base-Base interactions energy: -342.182
where: short stacking energy: -146.980
Base-Backbone interact. energy: -0.887
local terms energy: -162.279081
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -45.277
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: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -508.984738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.984738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.984738 (E_RNA)
where:
Base-Base interactions energy: -353.496
where: short stacking energy: -157.371
Base-Backbone interact. energy: -0.140
local terms energy: -155.348938
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -49.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -438.456974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.456974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.456974 (E_RNA)
where:
Base-Base interactions energy: -300.345
where: short stacking energy: -116.897
Base-Backbone interact. energy: -0.349
local terms energy: -137.763417
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -19.435
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -372.187259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.187259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.187259 (E_RNA)
where:
Base-Base interactions energy: -242.923
where: short stacking energy: -115.703
Base-Backbone interact. energy: -0.089
local terms energy: -129.175451
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -39.050
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -365.469733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.469733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.469733 (E_RNA)
where:
Base-Base interactions energy: -238.610
where: short stacking energy: -104.493
Base-Backbone interact. energy: -0.210
local terms energy: -126.649685
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -30.426
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: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -153.649416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.649416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.649416 (E_RNA)
where:
Base-Base interactions energy: -58.874
where: short stacking energy: -56.576
Base-Backbone interact. energy: -0.435
local terms energy: -94.339609
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -135.529039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.529039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.529039 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -45.335
Base-Backbone interact. energy: 0.819
local terms energy: -85.874614
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: 4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -132.617059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.617059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.617059 (E_RNA)
where:
Base-Base interactions energy: -51.836
where: short stacking energy: -42.489
Base-Backbone interact. energy: -0.523
local terms energy: -80.258299
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: 10.544
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -515.382564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.382564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.382564 (E_RNA)
where:
Base-Base interactions energy: -351.258
where: short stacking energy: -136.566
Base-Backbone interact. energy: -0.310
local terms energy: -163.814259
where:
bonds (distance) C4'-P energy: -34.574
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -38.223
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: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -518.997995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.997995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.997995 (E_RNA)
where:
Base-Base interactions energy: -345.421
where: short stacking energy: -157.942
Base-Backbone interact. energy: -0.044
local terms energy: -173.532757
where:
bonds (distance) C4'-P energy: -31.573
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -48.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -511.815505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.815505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.815505 (E_RNA)
where:
Base-Base interactions energy: -343.893
where: short stacking energy: -144.002
Base-Backbone interact. energy: -0.023
local terms energy: -167.899374
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -48.163
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -490.099100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.099100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.099100 (E_RNA)
where:
Base-Base interactions energy: -335.926
where: short stacking energy: -145.664
Base-Backbone interact. energy: -0.209
local terms energy: -153.963905
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -27.753
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -47.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -403.268165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.268165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.268165 (E_RNA)
where:
Base-Base interactions energy: -264.904
where: short stacking energy: -119.871
Base-Backbone interact. energy: -2.380
local terms energy: -135.984698
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -31.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -391.152770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.152770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.152770 (E_RNA)
where:
Base-Base interactions energy: -249.513
where: short stacking energy: -116.776
Base-Backbone interact. energy: -0.422
local terms energy: -141.217333
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -30.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -381.139322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.139322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.139322 (E_RNA)
where:
Base-Base interactions energy: -257.693
where: short stacking energy: -110.429
Base-Backbone interact. energy: -0.507
local terms energy: -122.938947
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -19.666
tors. eta vs tors. theta energy: -29.844
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: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -171.928362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.928362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.928362 (E_RNA)
where:
Base-Base interactions energy: -67.193
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.342
local terms energy: -104.393570
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -29.925
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -8.740
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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -149.187296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.187296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.187296 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -42.481
Base-Backbone interact. energy: 1.477
local terms energy: -107.352325
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -143.659721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.659721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.659721 (E_RNA)
where:
Base-Base interactions energy: -45.563
where: short stacking energy: -45.350
Base-Backbone interact. energy: 1.667
local terms energy: -99.763961
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -12.248
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: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -525.177448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.177448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.177448 (E_RNA)
where:
Base-Base interactions energy: -357.797
where: short stacking energy: -151.904
Base-Backbone interact. energy: -0.394
local terms energy: -166.986118
where:
bonds (distance) C4'-P energy: -34.084
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -508.904897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.904897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.904897 (E_RNA)
where:
Base-Base interactions energy: -357.885
where: short stacking energy: -152.491
Base-Backbone interact. energy: -0.039
local terms energy: -150.980957
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -44.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -519.329500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.329500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.329500 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -155.346
Base-Backbone interact. energy: -0.616
local terms energy: -160.023815
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -47.759
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -492.425359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.425359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.425359 (E_RNA)
where:
Base-Base interactions energy: -341.686
where: short stacking energy: -144.796
Base-Backbone interact. energy: -0.213
local terms energy: -150.527236
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -33.249
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -47.718
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: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -424.516355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.516355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.516355 (E_RNA)
where:
Base-Base interactions energy: -286.521
where: short stacking energy: -110.082
Base-Backbone interact. energy: -0.433
local terms energy: -137.561565
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -28.507
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -28.344
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -381.634948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.634948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.634948 (E_RNA)
where:
Base-Base interactions energy: -238.304
where: short stacking energy: -120.146
Base-Backbone interact. energy: -0.137
local terms energy: -143.194018
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -35.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -387.811747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.811747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.811747 (E_RNA)
where:
Base-Base interactions energy: -255.029
where: short stacking energy: -112.284
Base-Backbone interact. energy: -0.925
local terms energy: -131.857257
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -31.751
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: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -160.674870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.674870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.674870 (E_RNA)
where:
Base-Base interactions energy: -67.836
where: short stacking energy: -38.072
Base-Backbone interact. energy: 2.516
local terms energy: -95.354858
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -154.993795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.993795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.993795 (E_RNA)
where:
Base-Base interactions energy: -55.720
where: short stacking energy: -40.529
Base-Backbone interact. energy: 0.430
local terms energy: -99.703546
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -150.515363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.515363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.515363 (E_RNA)
where:
Base-Base interactions energy: -73.678
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.961
local terms energy: -75.876624
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -531.090278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.090278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.090278 (E_RNA)
where:
Base-Base interactions energy: -361.073
where: short stacking energy: -156.004
Base-Backbone interact. energy: -0.011
local terms energy: -170.006746
where:
bonds (distance) C4'-P energy: -28.230
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -38.524
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -43.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -521.895476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.895476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.895476 (E_RNA)
where:
Base-Base interactions energy: -353.662
where: short stacking energy: -150.134
Base-Backbone interact. energy: -0.102
local terms energy: -168.131945
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -511.489341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.489341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.489341 (E_RNA)
where:
Base-Base interactions energy: -346.198
where: short stacking energy: -154.381
Base-Backbone interact. energy: -1.085
local terms energy: -164.206346
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -45.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -501.173960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.173960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.173960 (E_RNA)
where:
Base-Base interactions energy: -347.614
where: short stacking energy: -142.392
Base-Backbone interact. energy: 3.697
local terms energy: -157.257186
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -39.710
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: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -412.294782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.294782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.294782 (E_RNA)
where:
Base-Base interactions energy: -274.878
where: short stacking energy: -113.230
Base-Backbone interact. energy: -0.667
local terms energy: -136.750309
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -27.804
tors. eta vs tors. theta energy: -30.268
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -398.304785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.304785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.304785 (E_RNA)
where:
Base-Base interactions energy: -287.784
where: short stacking energy: -109.410
Base-Backbone interact. energy: -0.919
local terms energy: -109.602511
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -340.947796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.947796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.947796 (E_RNA)
where:
Base-Base interactions energy: -220.859
where: short stacking energy: -102.523
Base-Backbone interact. energy: -0.208
local terms energy: -119.880795
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -18.750
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: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -164.523969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.523969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.523969 (E_RNA)
where:
Base-Base interactions energy: -56.813
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.139
local terms energy: -107.572126
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -14.195
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: 415
Temperature: 1.300000
Total energy: -150.192792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.192792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.192792 (E_RNA)
where:
Base-Base interactions energy: -50.788
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.207
local terms energy: -99.198074
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -34.468
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: 2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -139.447443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.447443 (E_RNA)
where:
Base-Base interactions energy: -47.324
where: short stacking energy: -37.418
Base-Backbone interact. energy: -0.360
local terms energy: -91.764243
where:
bonds (distance) C4'-P energy: -27.666
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -532.627909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.627909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.627909 (E_RNA)
where:
Base-Base interactions energy: -373.534
where: short stacking energy: -161.752
Base-Backbone interact. energy: -0.051
local terms energy: -159.043508
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -47.212
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -528.252812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.252812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.252812 (E_RNA)
where:
Base-Base interactions energy: -356.710
where: short stacking energy: -153.866
Base-Backbone interact. energy: -0.173
local terms energy: -171.369857
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -47.820
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: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -507.622755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.622755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.622755 (E_RNA)
where:
Base-Base interactions energy: -354.027
where: short stacking energy: -145.593
Base-Backbone interact. energy: -0.112
local terms energy: -153.483833
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -44.280
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: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -491.065185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.065185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.065185 (E_RNA)
where:
Base-Base interactions energy: -337.083
where: short stacking energy: -147.484
Base-Backbone interact. energy: -0.024
local terms energy: -153.958685
where:
bonds (distance) C4'-P energy: -26.139
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -46.706
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: 416
Temperature: 1.100000
Total energy: -422.349426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.349426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.349426 (E_RNA)
where:
Base-Base interactions energy: -265.060
where: short stacking energy: -110.743
Base-Backbone interact. energy: -1.080
local terms energy: -156.209384
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -40.345
flat angles P-C4'-P energy: -21.958
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: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -413.241797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.241797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.241797 (E_RNA)
where:
Base-Base interactions energy: -283.055
where: short stacking energy: -118.765
Base-Backbone interact. energy: 0.357
local terms energy: -130.543729
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -20.528
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -331.866601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.866601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.866601 (E_RNA)
where:
Base-Base interactions energy: -197.195
where: short stacking energy: -94.634
Base-Backbone interact. energy: -1.140
local terms energy: -133.531614
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -25.777
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: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -207.345534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345534 (E_RNA)
where:
Base-Base interactions energy: -104.617
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.901
local terms energy: -101.827154
where:
bonds (distance) C4'-P energy: -29.686
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -149.562637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.562637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.562637 (E_RNA)
where:
Base-Base interactions energy: -75.354
where: short stacking energy: -57.948
Base-Backbone interact. energy: 5.144
local terms energy: -79.352491
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.125
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: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -139.545451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.545451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.545451 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.098
local terms energy: -95.756102
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -16.539
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: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -547.337956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.337956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.337956 (E_RNA)
where:
Base-Base interactions energy: -373.336
where: short stacking energy: -160.113
Base-Backbone interact. energy: -0.567
local terms energy: -173.435325
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -46.267
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -523.266696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.266696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.266696 (E_RNA)
where:
Base-Base interactions energy: -365.834
where: short stacking energy: -153.609
Base-Backbone interact. energy: -0.199
local terms energy: -157.233275
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -42.006
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -505.989646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.989646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.989646 (E_RNA)
where:
Base-Base interactions energy: -347.718
where: short stacking energy: -141.079
Base-Backbone interact. energy: -0.660
local terms energy: -157.612055
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -44.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -523.488784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.488784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.488784 (E_RNA)
where:
Base-Base interactions energy: -352.944
where: short stacking energy: -148.334
Base-Backbone interact. energy: -0.548
local terms energy: -169.997216
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -49.137
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -420.989166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.989166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.989166 (E_RNA)
where:
Base-Base interactions energy: -279.672
where: short stacking energy: -118.786
Base-Backbone interact. energy: -0.456
local terms energy: -140.861244
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -20.025
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: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -425.293078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.293078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.293078 (E_RNA)
where:
Base-Base interactions energy: -289.592
where: short stacking energy: -121.885
Base-Backbone interact. energy: -0.623
local terms energy: -135.078282
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -358.124446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.124446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.124446 (E_RNA)
where:
Base-Base interactions energy: -227.086
where: short stacking energy: -103.731
Base-Backbone interact. energy: -0.907
local terms energy: -130.130670
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -27.840
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: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -161.568559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568559 (E_RNA)
where:
Base-Base interactions energy: -71.092
where: short stacking energy: -60.039
Base-Backbone interact. energy: 1.248
local terms energy: -91.724093
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -10.929
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: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -169.844897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.844897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.844897 (E_RNA)
where:
Base-Base interactions energy: -93.628
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.065
local terms energy: -76.151892
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -151.919980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.919980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.919980 (E_RNA)
where:
Base-Base interactions energy: -88.976
where: short stacking energy: -59.581
Base-Backbone interact. energy: -0.592
local terms energy: -62.351429
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: 7.669
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: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -528.513823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.513823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.513823 (E_RNA)
where:
Base-Base interactions energy: -365.144
where: short stacking energy: -139.017
Base-Backbone interact. energy: -1.708
local terms energy: -161.661799
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -33.537
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -40.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -519.528919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.528919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.528919 (E_RNA)
where:
Base-Base interactions energy: -362.949
where: short stacking energy: -154.959
Base-Backbone interact. energy: -0.409
local terms energy: -156.170871
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: -44.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -516.161399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.161399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.161399 (E_RNA)
where:
Base-Base interactions energy: -364.800
where: short stacking energy: -150.596
Base-Backbone interact. energy: -0.414
local terms energy: -150.947419
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -42.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -493.120571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.120571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.120571 (E_RNA)
where:
Base-Base interactions energy: -345.240
where: short stacking energy: -143.972
Base-Backbone interact. energy: 2.823
local terms energy: -150.703304
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -42.035
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -432.237332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.237332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.237332 (E_RNA)
where:
Base-Base interactions energy: -290.707
where: short stacking energy: -130.108
Base-Backbone interact. energy: -0.476
local terms energy: -141.054052
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -21.129
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: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -407.530401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.530401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.530401 (E_RNA)
where:
Base-Base interactions energy: -276.633
where: short stacking energy: -121.713
Base-Backbone interact. energy: -0.473
local terms energy: -130.424281
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -32.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -377.677338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.677338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.677338 (E_RNA)
where:
Base-Base interactions energy: -244.024
where: short stacking energy: -130.395
Base-Backbone interact. energy: -0.261
local terms energy: -133.392347
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -30.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -154.422876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.422876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.422876 (E_RNA)
where:
Base-Base interactions energy: -44.477
where: short stacking energy: -40.900
Base-Backbone interact. energy: -1.419
local terms energy: -108.526565
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: 2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -141.404611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.404611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.404611 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -42.165
Base-Backbone interact. energy: -1.001
local terms energy: -92.933130
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: 3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -141.382137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.382137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.382137 (E_RNA)
where:
Base-Base interactions energy: -51.835
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.282
local terms energy: -89.265474
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -521.548526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.548526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.548526 (E_RNA)
where:
Base-Base interactions energy: -360.845
where: short stacking energy: -145.928
Base-Backbone interact. energy: 0.316
local terms energy: -161.019993
where:
bonds (distance) C4'-P energy: -29.508
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -41.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -532.053199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.053199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.053199 (E_RNA)
where:
Base-Base interactions energy: -367.215
where: short stacking energy: -154.508
Base-Backbone interact. energy: -0.095
local terms energy: -164.742772
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -47.836
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -518.965039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.965039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.965039 (E_RNA)
where:
Base-Base interactions energy: -361.302
where: short stacking energy: -154.227
Base-Backbone interact. energy: -0.010
local terms energy: -157.653076
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -49.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -490.685120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.685120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.685120 (E_RNA)
where:
Base-Base interactions energy: -337.425
where: short stacking energy: -145.311
Base-Backbone interact. energy: 0.425
local terms energy: -153.684375
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -30.870
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -45.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -446.523063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.523063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.523063 (E_RNA)
where:
Base-Base interactions energy: -305.204
where: short stacking energy: -140.427
Base-Backbone interact. energy: -0.770
local terms energy: -140.549263
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -39.013
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: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -411.156967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.156967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.156967 (E_RNA)
where:
Base-Base interactions energy: -272.361
where: short stacking energy: -123.907
Base-Backbone interact. energy: 1.200
local terms energy: -139.995874
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -36.001
flat angles P-C4'-P energy: -18.752
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -387.423332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.423332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.423332 (E_RNA)
where:
Base-Base interactions energy: -248.994
where: short stacking energy: -106.574
Base-Backbone interact. energy: -0.430
local terms energy: -137.998880
where:
bonds (distance) C4'-P energy: -24.948
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -27.424
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -172.687641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.687641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.687641 (E_RNA)
where:
Base-Base interactions energy: -80.623
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.621
local terms energy: -91.444067
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -151.006282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.006282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.006282 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.432
local terms energy: -99.600944
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -162.333524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.333524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.333524 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -35.129
Base-Backbone interact. energy: 0.228
local terms energy: -100.971663
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -526.770322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.770322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.770322 (E_RNA)
where:
Base-Base interactions energy: -363.567
where: short stacking energy: -155.228
Base-Backbone interact. energy: -0.141
local terms energy: -163.062389
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -45.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -516.900486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.900486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.900486 (E_RNA)
where:
Base-Base interactions energy: -358.977
where: short stacking energy: -149.299
Base-Backbone interact. energy: -0.180
local terms energy: -157.744294
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -44.721
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: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -515.090204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.090204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.090204 (E_RNA)
where:
Base-Base interactions energy: -356.860
where: short stacking energy: -143.834
Base-Backbone interact. energy: -0.862
local terms energy: -157.367663
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -491.867613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.867613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.867613 (E_RNA)
where:
Base-Base interactions energy: -331.451
where: short stacking energy: -131.800
Base-Backbone interact. energy: -0.602
local terms energy: -159.815069
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -37.891
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: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -431.325309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.325309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.325309 (E_RNA)
where:
Base-Base interactions energy: -279.124
where: short stacking energy: -124.888
Base-Backbone interact. energy: -0.939
local terms energy: -151.261703
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -38.979
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: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -420.460621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.460621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.460621 (E_RNA)
where:
Base-Base interactions energy: -284.757
where: short stacking energy: -116.449
Base-Backbone interact. energy: -0.632
local terms energy: -135.070806
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -28.084
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -388.408709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.408709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.408709 (E_RNA)
where:
Base-Base interactions energy: -246.825
where: short stacking energy: -117.947
Base-Backbone interact. energy: 0.260
local terms energy: -141.843381
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -31.907
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -13.941
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: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -172.699587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.699587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.699587 (E_RNA)
where:
Base-Base interactions energy: -65.924
where: short stacking energy: -51.901
Base-Backbone interact. energy: -1.674
local terms energy: -105.101627
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -3.294
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -163.714271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.714271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.714271 (E_RNA)
where:
Base-Base interactions energy: -68.463
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.570
local terms energy: -94.681704
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -147.082896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.082896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.082896 (E_RNA)
where:
Base-Base interactions energy: -61.285
where: short stacking energy: -43.379
Base-Backbone interact. energy: 2.866
local terms energy: -88.664217
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -523.868852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.868852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.868852 (E_RNA)
where:
Base-Base interactions energy: -352.624
where: short stacking energy: -147.014
Base-Backbone interact. energy: -0.241
local terms energy: -171.004713
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -44.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -524.690960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.690960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.690960 (E_RNA)
where:
Base-Base interactions energy: -362.875
where: short stacking energy: -152.374
Base-Backbone interact. energy: -0.752
local terms energy: -161.064431
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -43.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -514.311592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.311592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.311592 (E_RNA)
where:
Base-Base interactions energy: -347.042
where: short stacking energy: -147.996
Base-Backbone interact. energy: -0.061
local terms energy: -167.208727
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -51.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -499.987035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.987035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.987035 (E_RNA)
where:
Base-Base interactions energy: -346.649
where: short stacking energy: -139.415
Base-Backbone interact. energy: -0.951
local terms energy: -152.387116
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -35.343
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -43.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -427.335656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.335656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.335656 (E_RNA)
where:
Base-Base interactions energy: -280.580
where: short stacking energy: -123.144
Base-Backbone interact. energy: -0.245
local terms energy: -146.510960
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -33.144
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: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -420.316653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.316653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.316653 (E_RNA)
where:
Base-Base interactions energy: -279.976
where: short stacking energy: -119.302
Base-Backbone interact. energy: -0.175
local terms energy: -140.165941
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -37.023
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: 421
Temperature: 1.200000
Total energy: -357.521840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.521840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.521840 (E_RNA)
where:
Base-Base interactions energy: -224.329
where: short stacking energy: -94.223
Base-Backbone interact. energy: 0.339
local terms energy: -133.531394
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -155.985711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.985711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.985711 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -56.906
Base-Backbone interact. energy: -1.145
local terms energy: -88.851773
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -158.243983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.243983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.243983 (E_RNA)
where:
Base-Base interactions energy: -71.323
where: short stacking energy: -63.315
Base-Backbone interact. energy: -0.229
local terms energy: -86.692612
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -132.882578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.882578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.882578 (E_RNA)
where:
Base-Base interactions energy: -49.742
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.855
local terms energy: -82.285231
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: 3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -518.689705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.689705 (E_RNA)
where:
Base-Base interactions energy: -349.205
where: short stacking energy: -148.436
Base-Backbone interact. energy: -0.147
local terms energy: -169.338200
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -43.734
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: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -518.725493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.725493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.725493 (E_RNA)
where:
Base-Base interactions energy: -348.703
where: short stacking energy: -147.486
Base-Backbone interact. energy: -0.142
local terms energy: -169.880348
where:
bonds (distance) C4'-P energy: -30.671
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -518.151256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.151256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.151256 (E_RNA)
where:
Base-Base interactions energy: -359.765
where: short stacking energy: -151.710
Base-Backbone interact. energy: -0.013
local terms energy: -158.373392
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -46.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -527.822246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.822246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.822246 (E_RNA)
where:
Base-Base interactions energy: -355.884
where: short stacking energy: -160.380
Base-Backbone interact. energy: -0.135
local terms energy: -171.802864
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -51.132
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -433.010592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.010592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.010592 (E_RNA)
where:
Base-Base interactions energy: -280.152
where: short stacking energy: -126.197
Base-Backbone interact. energy: -0.835
local terms energy: -152.023764
where:
bonds (distance) C4'-P energy: -28.070
bonds (distance) P-C4' energy: -34.003
flat angles C4'-P-C4' energy: -29.305
flat angles P-C4'-P energy: -25.027
tors. eta vs tors. theta energy: -35.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -421.651397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.651397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.651397 (E_RNA)
where:
Base-Base interactions energy: -275.516
where: short stacking energy: -113.821
Base-Backbone interact. energy: -0.031
local terms energy: -146.104443
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -33.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -345.745837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.745837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.745837 (E_RNA)
where:
Base-Base interactions energy: -222.919
where: short stacking energy: -99.273
Base-Backbone interact. energy: -1.687
local terms energy: -121.140033
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -166.160615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.160615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.160615 (E_RNA)
where:
Base-Base interactions energy: -59.683
where: short stacking energy: -44.840
Base-Backbone interact. energy: 0.193
local terms energy: -106.670706
where:
bonds (distance) C4'-P energy: -30.558
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -149.526458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.526458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.526458 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -45.404
Base-Backbone interact. energy: -1.026
local terms energy: -103.096356
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -4.562
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: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -145.103454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.103454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.103454 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -39.454
Base-Backbone interact. energy: 0.200
local terms energy: -88.850516
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -23.763
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -5.086
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -535.665641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.665641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.665641 (E_RNA)
where:
Base-Base interactions energy: -359.750
where: short stacking energy: -151.599
Base-Backbone interact. energy: -0.120
local terms energy: -175.795455
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -46.613
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -522.548517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.548517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.548517 (E_RNA)
where:
Base-Base interactions energy: -357.400
where: short stacking energy: -138.149
Base-Backbone interact. energy: -0.781
local terms energy: -164.367660
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -41.396
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -506.160669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.160669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.160669 (E_RNA)
where:
Base-Base interactions energy: -340.540
where: short stacking energy: -146.852
Base-Backbone interact. energy: -0.530
local terms energy: -165.090952
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -43.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -511.448091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.448091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.448091 (E_RNA)
where:
Base-Base interactions energy: -357.033
where: short stacking energy: -146.538
Base-Backbone interact. energy: 0.426
local terms energy: -154.841449
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -45.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -415.731105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.731105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.731105 (E_RNA)
where:
Base-Base interactions energy: -278.480
where: short stacking energy: -124.770
Base-Backbone interact. energy: 2.127
local terms energy: -139.378114
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -25.712
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: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -380.378976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.378976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.378976 (E_RNA)
where:
Base-Base interactions energy: -236.953
where: short stacking energy: -112.124
Base-Backbone interact. energy: -0.951
local terms energy: -142.474549
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -33.242
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: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -420.124687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.124687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.124687 (E_RNA)
where:
Base-Base interactions energy: -290.595
where: short stacking energy: -128.675
Base-Backbone interact. energy: -0.413
local terms energy: -129.116895
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -159.874259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.874259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.874259 (E_RNA)
where:
Base-Base interactions energy: -64.971
where: short stacking energy: -55.463
Base-Backbone interact. energy: 2.945
local terms energy: -97.848653
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -158.715326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.715326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.715326 (E_RNA)
where:
Base-Base interactions energy: -71.473
where: short stacking energy: -57.372
Base-Backbone interact. energy: 0.554
local terms energy: -87.796873
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -143.470194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.470194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.470194 (E_RNA)
where:
Base-Base interactions energy: -48.823
where: short stacking energy: -42.864
Base-Backbone interact. energy: 0.335
local terms energy: -94.981804
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -26.059
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -526.291154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.291154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.291154 (E_RNA)
where:
Base-Base interactions energy: -361.724
where: short stacking energy: -141.887
Base-Backbone interact. energy: -0.403
local terms energy: -164.163915
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -44.143
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -512.721749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.721749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.721749 (E_RNA)
where:
Base-Base interactions energy: -345.682
where: short stacking energy: -152.858
Base-Backbone interact. energy: -0.285
local terms energy: -166.754776
where:
bonds (distance) C4'-P energy: -34.206
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -45.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -515.327824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.327824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.327824 (E_RNA)
where:
Base-Base interactions energy: -350.439
where: short stacking energy: -157.934
Base-Backbone interact. energy: -0.067
local terms energy: -164.821699
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -46.691
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: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -495.696573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.696573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.696573 (E_RNA)
where:
Base-Base interactions energy: -337.464
where: short stacking energy: -144.901
Base-Backbone interact. energy: -0.971
local terms energy: -157.261870
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -20.621
tors. eta vs tors. theta energy: -46.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -408.900663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.900663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.900663 (E_RNA)
where:
Base-Base interactions energy: -252.440
where: short stacking energy: -120.420
Base-Backbone interact. energy: -0.454
local terms energy: -156.006347
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -393.893852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.893852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.893852 (E_RNA)
where:
Base-Base interactions energy: -260.358
where: short stacking energy: -100.120
Base-Backbone interact. energy: 1.051
local terms energy: -134.587586
where:
bonds (distance) C4'-P energy: -29.160
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -27.744
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: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -426.174358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.174358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.174358 (E_RNA)
where:
Base-Base interactions energy: -288.947
where: short stacking energy: -127.194
Base-Backbone interact. energy: -0.302
local terms energy: -136.925894
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -37.484
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: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -172.346246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.346246 (E_RNA)
where:
Base-Base interactions energy: -76.816
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.245
local terms energy: -95.285648
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -3.831
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: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -145.920808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.920808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.920808 (E_RNA)
where:
Base-Base interactions energy: -66.325
where: short stacking energy: -39.121
Base-Backbone interact. energy: 2.127
local terms energy: -81.722250
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: 4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -138.729033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.729033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.729033 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.251
local terms energy: -93.772032
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -521.067675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.067675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.067675 (E_RNA)
where:
Base-Base interactions energy: -355.358
where: short stacking energy: -145.247
Base-Backbone interact. energy: -0.049
local terms energy: -165.660462
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -40.514
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -516.692868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.692868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.692868 (E_RNA)
where:
Base-Base interactions energy: -345.632
where: short stacking energy: -143.321
Base-Backbone interact. energy: -0.219
local terms energy: -170.842362
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -45.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -517.354222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.354222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.354222 (E_RNA)
where:
Base-Base interactions energy: -350.470
where: short stacking energy: -149.705
Base-Backbone interact. energy: -0.096
local terms energy: -166.788424
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -49.510
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: 425
Temperature: 1.050000
Total energy: -510.604787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.604787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.604787 (E_RNA)
where:
Base-Base interactions energy: -340.732
where: short stacking energy: -149.672
Base-Backbone interact. energy: -0.166
local terms energy: -169.706909
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -51.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -400.693118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.693118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.693118 (E_RNA)
where:
Base-Base interactions energy: -267.993
where: short stacking energy: -108.881
Base-Backbone interact. energy: 0.724
local terms energy: -133.424577
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -420.632398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.632398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.632398 (E_RNA)
where:
Base-Base interactions energy: -277.937
where: short stacking energy: -120.608
Base-Backbone interact. energy: -0.015
local terms energy: -142.680310
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -399.600576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.600576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.600576 (E_RNA)
where:
Base-Base interactions energy: -268.361
where: short stacking energy: -109.622
Base-Backbone interact. energy: -0.468
local terms energy: -130.772097
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -27.517
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: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -181.668297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.668297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.668297 (E_RNA)
where:
Base-Base interactions energy: -97.762
where: short stacking energy: -51.399
Base-Backbone interact. energy: 0.066
local terms energy: -83.972119
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -160.771659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.771659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.771659 (E_RNA)
where:
Base-Base interactions energy: -67.260
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.728
local terms energy: -92.784045
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -137.911622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.911622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.911622 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.234
local terms energy: -100.930876
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -521.681338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.681338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.681338 (E_RNA)
where:
Base-Base interactions energy: -349.877
where: short stacking energy: -137.190
Base-Backbone interact. energy: -0.659
local terms energy: -171.145160
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -41.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -511.762911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.762911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.762911 (E_RNA)
where:
Base-Base interactions energy: -348.758
where: short stacking energy: -140.212
Base-Backbone interact. energy: -0.325
local terms energy: -162.679864
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -510.176753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.176753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.176753 (E_RNA)
where:
Base-Base interactions energy: -354.129
where: short stacking energy: -151.554
Base-Backbone interact. energy: -0.310
local terms energy: -155.737676
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -48.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -496.240649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.240649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.240649 (E_RNA)
where:
Base-Base interactions energy: -335.586
where: short stacking energy: -137.003
Base-Backbone interact. energy: -0.144
local terms energy: -160.511070
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -44.069
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: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -445.526425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.526425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.526425 (E_RNA)
where:
Base-Base interactions energy: -290.005
where: short stacking energy: -132.220
Base-Backbone interact. energy: -1.578
local terms energy: -153.943477
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -39.221
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: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -386.110512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.110512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.110512 (E_RNA)
where:
Base-Base interactions energy: -244.433
where: short stacking energy: -117.758
Base-Backbone interact. energy: 0.084
local terms energy: -141.761216
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -16.309
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -392.178409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.178409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.178409 (E_RNA)
where:
Base-Base interactions energy: -268.452
where: short stacking energy: -119.217
Base-Backbone interact. energy: -0.593
local terms energy: -123.132821
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -32.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -183.137575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.137575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.137575 (E_RNA)
where:
Base-Base interactions energy: -73.318
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.262
local terms energy: -109.557394
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -179.280486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.280486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.280486 (E_RNA)
where:
Base-Base interactions energy: -92.432
where: short stacking energy: -53.172
Base-Backbone interact. energy: 2.552
local terms energy: -89.400591
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -31.822
flat angles C4'-P-C4' energy: -24.146
flat angles P-C4'-P energy: -14.367
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: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -142.426120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.426120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.426120 (E_RNA)
where:
Base-Base interactions energy: -48.790
where: short stacking energy: -44.743
Base-Backbone interact. energy: -1.153
local terms energy: -92.483306
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: 0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -535.968295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.968295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.968295 (E_RNA)
where:
Base-Base interactions energy: -365.475
where: short stacking energy: -148.586
Base-Backbone interact. energy: -0.177
local terms energy: -170.316455
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -48.353
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: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -524.581394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.581394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.581394 (E_RNA)
where:
Base-Base interactions energy: -356.545
where: short stacking energy: -153.931
Base-Backbone interact. energy: -0.902
local terms energy: -167.134423
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -33.413
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -46.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -506.786738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.786738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.786738 (E_RNA)
where:
Base-Base interactions energy: -337.126
where: short stacking energy: -132.481
Base-Backbone interact. energy: -0.368
local terms energy: -169.292776
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -36.363
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -45.119
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: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -494.374399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.374399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.374399 (E_RNA)
where:
Base-Base interactions energy: -331.859
where: short stacking energy: -143.159
Base-Backbone interact. energy: -0.365
local terms energy: -162.150225
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -446.398148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.398148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.398148 (E_RNA)
where:
Base-Base interactions energy: -304.332
where: short stacking energy: -133.218
Base-Backbone interact. energy: -0.199
local terms energy: -141.867803
where:
bonds (distance) C4'-P energy: -31.584
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -43.390
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: 427
Temperature: 1.150000
Total energy: -393.940217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.940217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.940217 (E_RNA)
where:
Base-Base interactions energy: -252.242
where: short stacking energy: -119.680
Base-Backbone interact. energy: -0.139
local terms energy: -141.558690
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -37.910
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: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -356.446065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.446065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.446065 (E_RNA)
where:
Base-Base interactions energy: -234.483
where: short stacking energy: -95.780
Base-Backbone interact. energy: -1.457
local terms energy: -120.505881
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -164.030523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.030523 (E_RNA)
where:
Base-Base interactions energy: -61.289
where: short stacking energy: -53.976
Base-Backbone interact. energy: -1.268
local terms energy: -101.473761
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -35.509
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -153.444679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.444679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.444679 (E_RNA)
where:
Base-Base interactions energy: -63.555
where: short stacking energy: -40.903
Base-Backbone interact. energy: -0.294
local terms energy: -89.595056
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -143.088227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.088227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.088227 (E_RNA)
where:
Base-Base interactions energy: -42.900
where: short stacking energy: -37.925
Base-Backbone interact. energy: -0.441
local terms energy: -99.747090
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -535.164117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.164117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.164117 (E_RNA)
where:
Base-Base interactions energy: -365.658
where: short stacking energy: -160.037
Base-Backbone interact. energy: 0.117
local terms energy: -169.622627
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -49.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -519.851886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.851886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.851886 (E_RNA)
where:
Base-Base interactions energy: -359.571
where: short stacking energy: -153.977
Base-Backbone interact. energy: -0.197
local terms energy: -160.083760
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -44.314
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: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -500.539782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.539782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.539782 (E_RNA)
where:
Base-Base interactions energy: -344.264
where: short stacking energy: -150.899
Base-Backbone interact. energy: 0.623
local terms energy: -156.898614
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -47.539
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: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -493.426426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.426426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.426426 (E_RNA)
where:
Base-Base interactions energy: -344.043
where: short stacking energy: -141.562
Base-Backbone interact. energy: -0.179
local terms energy: -149.204504
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -43.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -440.278355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.278355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.278355 (E_RNA)
where:
Base-Base interactions energy: -295.090
where: short stacking energy: -147.607
Base-Backbone interact. energy: -0.628
local terms energy: -144.560567
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -40.811
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: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -394.990917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.990917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.990917 (E_RNA)
where:
Base-Base interactions energy: -251.398
where: short stacking energy: -116.087
Base-Backbone interact. energy: -0.620
local terms energy: -142.972962
where:
bonds (distance) C4'-P energy: -27.174
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -30.256
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: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -397.589331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.589331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.589331 (E_RNA)
where:
Base-Base interactions energy: -262.179
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.376
local terms energy: -135.034029
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -28.117
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -150.566396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.566396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.566396 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.728
local terms energy: -100.555356
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -148.442448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.442448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.442448 (E_RNA)
where:
Base-Base interactions energy: -52.444
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.711
local terms energy: -95.287435
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -27.932
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: 3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -132.206631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.206631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.206631 (E_RNA)
where:
Base-Base interactions energy: -51.624
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.586
local terms energy: -79.997252
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: 3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -544.454290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.454290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.454290 (E_RNA)
where:
Base-Base interactions energy: -368.129
where: short stacking energy: -155.964
Base-Backbone interact. energy: -1.582
local terms energy: -174.743921
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -48.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -520.705698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.705698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.705698 (E_RNA)
where:
Base-Base interactions energy: -354.963
where: short stacking energy: -155.927
Base-Backbone interact. energy: -0.460
local terms energy: -165.282452
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -45.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -503.978346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.978346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.978346 (E_RNA)
where:
Base-Base interactions energy: -342.418
where: short stacking energy: -143.037
Base-Backbone interact. energy: 0.927
local terms energy: -162.487173
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -40.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -517.532947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.532947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.532947 (E_RNA)
where:
Base-Base interactions energy: -348.068
where: short stacking energy: -152.396
Base-Backbone interact. energy: -0.028
local terms energy: -169.436984
where:
bonds (distance) C4'-P energy: -30.969
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -48.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -443.083223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.083223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.083223 (E_RNA)
where:
Base-Base interactions energy: -298.618
where: short stacking energy: -122.709
Base-Backbone interact. energy: -0.139
local terms energy: -144.326022
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -33.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -400.291404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.291404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.291404 (E_RNA)
where:
Base-Base interactions energy: -261.604
where: short stacking energy: -119.905
Base-Backbone interact. energy: -0.934
local terms energy: -137.753113
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -29.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -356.239301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.239301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.239301 (E_RNA)
where:
Base-Base interactions energy: -229.850
where: short stacking energy: -113.047
Base-Backbone interact. energy: -0.284
local terms energy: -126.104875
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -19.620
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: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -162.995294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.995294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.995294 (E_RNA)
where:
Base-Base interactions energy: -53.842
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.383
local terms energy: -108.769800
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -13.182
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: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -144.773379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.773379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.773379 (E_RNA)
where:
Base-Base interactions energy: -48.795
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.356
local terms energy: -95.621947
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -19.720
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: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -136.676779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.676779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.676779 (E_RNA)
where:
Base-Base interactions energy: -55.944
where: short stacking energy: -56.344
Base-Backbone interact. energy: 0.212
local terms energy: -80.945105
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -11.092
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: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -538.674207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.674207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.674207 (E_RNA)
where:
Base-Base interactions energy: -367.856
where: short stacking energy: -155.371
Base-Backbone interact. energy: -1.326
local terms energy: -169.492238
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -523.811967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.811967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.811967 (E_RNA)
where:
Base-Base interactions energy: -374.894
where: short stacking energy: -155.001
Base-Backbone interact. energy: -0.272
local terms energy: -148.646161
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -525.206008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.206008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.206008 (E_RNA)
where:
Base-Base interactions energy: -356.495
where: short stacking energy: -152.040
Base-Backbone interact. energy: -0.117
local terms energy: -168.594027
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: -48.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -508.256836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.256836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.256836 (E_RNA)
where:
Base-Base interactions energy: -344.648
where: short stacking energy: -136.174
Base-Backbone interact. energy: -0.632
local terms energy: -162.976956
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -431.463456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.463456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.463456 (E_RNA)
where:
Base-Base interactions energy: -284.792
where: short stacking energy: -122.989
Base-Backbone interact. energy: 0.511
local terms energy: -147.183088
where:
bonds (distance) C4'-P energy: -28.235
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -19.906
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: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -404.349832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.349832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.349832 (E_RNA)
where:
Base-Base interactions energy: -269.163
where: short stacking energy: -118.148
Base-Backbone interact. energy: -0.656
local terms energy: -134.531382
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -13.374
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -353.270247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.270247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.270247 (E_RNA)
where:
Base-Base interactions energy: -216.425
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.523
local terms energy: -136.322455
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -30.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -171.403748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.403748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.403748 (E_RNA)
where:
Base-Base interactions energy: -67.487
where: short stacking energy: -61.211
Base-Backbone interact. energy: 0.356
local terms energy: -104.272709
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -30.396
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -164.610478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.610478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.610478 (E_RNA)
where:
Base-Base interactions energy: -64.990
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.008
local terms energy: -99.611661
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -160.468711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.468711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.468711 (E_RNA)
where:
Base-Base interactions energy: -58.120
where: short stacking energy: -51.712
Base-Backbone interact. energy: -0.964
local terms energy: -101.384785
where:
bonds (distance) C4'-P energy: -28.822
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -14.072
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: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -531.116995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.116995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.116995 (E_RNA)
where:
Base-Base interactions energy: -354.574
where: short stacking energy: -156.285
Base-Backbone interact. energy: -0.764
local terms energy: -175.779173
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -35.240
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -48.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -529.113690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.113690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.113690 (E_RNA)
where:
Base-Base interactions energy: -365.100
where: short stacking energy: -153.546
Base-Backbone interact. energy: -0.131
local terms energy: -163.883457
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -41.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -511.586129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.586129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.586129 (E_RNA)
where:
Base-Base interactions energy: -350.068
where: short stacking energy: -153.648
Base-Backbone interact. energy: -1.069
local terms energy: -160.448665
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -48.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -512.637390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.637390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.637390 (E_RNA)
where:
Base-Base interactions energy: -351.963
where: short stacking energy: -159.145
Base-Backbone interact. energy: 0.663
local terms energy: -161.337622
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -47.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -429.758793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.758793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.758793 (E_RNA)
where:
Base-Base interactions energy: -277.728
where: short stacking energy: -125.150
Base-Backbone interact. energy: -0.486
local terms energy: -151.545152
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -38.316
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -413.498121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.498121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.498121 (E_RNA)
where:
Base-Base interactions energy: -266.176
where: short stacking energy: -109.375
Base-Backbone interact. energy: -0.623
local terms energy: -146.699912
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -16.720
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: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -341.989965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.989965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.989965 (E_RNA)
where:
Base-Base interactions energy: -223.767
where: short stacking energy: -102.255
Base-Backbone interact. energy: 0.209
local terms energy: -118.431449
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -22.431
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: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -154.414216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.414216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.414216 (E_RNA)
where:
Base-Base interactions energy: -57.343
where: short stacking energy: -45.234
Base-Backbone interact. energy: -0.260
local terms energy: -96.811247
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -11.770
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -153.301411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.301411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.301411 (E_RNA)
where:
Base-Base interactions energy: -73.660
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.550
local terms energy: -79.091249
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -4.476
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: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -142.091651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.091651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.091651 (E_RNA)
where:
Base-Base interactions energy: -55.500
where: short stacking energy: -38.656
Base-Backbone interact. energy: 1.865
local terms energy: -88.456520
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -9.730
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: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -520.522076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.522076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.522076 (E_RNA)
where:
Base-Base interactions energy: -345.829
where: short stacking energy: -147.535
Base-Backbone interact. energy: -0.357
local terms energy: -174.335510
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -48.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -526.937982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.937982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.937982 (E_RNA)
where:
Base-Base interactions energy: -348.796
where: short stacking energy: -147.892
Base-Backbone interact. energy: -0.241
local terms energy: -177.901647
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: -49.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -534.188749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.188749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.188749 (E_RNA)
where:
Base-Base interactions energy: -360.551
where: short stacking energy: -162.750
Base-Backbone interact. energy: -0.067
local terms energy: -173.570688
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -36.935
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -49.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -505.743898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.743898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.743898 (E_RNA)
where:
Base-Base interactions energy: -343.111
where: short stacking energy: -147.533
Base-Backbone interact. energy: 0.909
local terms energy: -163.541633
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -44.615
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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -419.127746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.127746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.127746 (E_RNA)
where:
Base-Base interactions energy: -270.829
where: short stacking energy: -117.270
Base-Backbone interact. energy: -0.023
local terms energy: -148.276163
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -22.491
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: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -419.735008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.735008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.735008 (E_RNA)
where:
Base-Base interactions energy: -273.548
where: short stacking energy: -128.575
Base-Backbone interact. energy: -0.433
local terms energy: -145.754417
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -33.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -356.211500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.211500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.211500 (E_RNA)
where:
Base-Base interactions energy: -233.010
where: short stacking energy: -108.529
Base-Backbone interact. energy: -0.142
local terms energy: -123.059525
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -199.323274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.323274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.323274 (E_RNA)
where:
Base-Base interactions energy: -87.807
where: short stacking energy: -68.193
Base-Backbone interact. energy: 0.361
local terms energy: -111.877705
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -14.539
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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -226.470177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.470177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.470177 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.371
local terms energy: -111.430638
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -9.079
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -140.580589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.580589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.580589 (E_RNA)
where:
Base-Base interactions energy: -49.649
where: short stacking energy: -38.443
Base-Backbone interact. energy: -0.325
local terms energy: -90.607296
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -538.607353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.607353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.607353 (E_RNA)
where:
Base-Base interactions energy: -364.403
where: short stacking energy: -154.300
Base-Backbone interact. energy: -0.130
local terms energy: -174.073939
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -34.600
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -53.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -524.724337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.724337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.724337 (E_RNA)
where:
Base-Base interactions energy: -357.594
where: short stacking energy: -157.930
Base-Backbone interact. energy: -0.076
local terms energy: -167.054059
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -51.396
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: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -532.519718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.519718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.519718 (E_RNA)
where:
Base-Base interactions energy: -366.232
where: short stacking energy: -151.959
Base-Backbone interact. energy: -0.349
local terms energy: -165.938676
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -46.333
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -505.178608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.178608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.178608 (E_RNA)
where:
Base-Base interactions energy: -356.407
where: short stacking energy: -147.289
Base-Backbone interact. energy: -0.371
local terms energy: -148.399832
where:
bonds (distance) C4'-P energy: -29.361
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -43.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -395.091833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.091833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.091833 (E_RNA)
where:
Base-Base interactions energy: -262.447
where: short stacking energy: -109.414
Base-Backbone interact. energy: 1.155
local terms energy: -133.799792
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -432.406471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.406471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.406471 (E_RNA)
where:
Base-Base interactions energy: -285.863
where: short stacking energy: -117.691
Base-Backbone interact. energy: -0.162
local terms energy: -146.381253
where:
bonds (distance) C4'-P energy: -35.002
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -39.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -373.109595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.109595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.109595 (E_RNA)
where:
Base-Base interactions energy: -237.215
where: short stacking energy: -94.193
Base-Backbone interact. energy: -0.985
local terms energy: -134.909572
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -227.469848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.469848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.469848 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -64.989
Base-Backbone interact. energy: -1.291
local terms energy: -113.298014
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -143.600497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.600497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.600497 (E_RNA)
where:
Base-Base interactions energy: -57.609
where: short stacking energy: -31.520
Base-Backbone interact. energy: 0.701
local terms energy: -86.693345
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: 4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -144.495273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.495273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.495273 (E_RNA)
where:
Base-Base interactions energy: -53.703
where: short stacking energy: -50.925
Base-Backbone interact. energy: -0.074
local terms energy: -90.718134
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -528.954263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.954263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.954263 (E_RNA)
where:
Base-Base interactions energy: -352.429
where: short stacking energy: -154.405
Base-Backbone interact. energy: -0.023
local terms energy: -176.502110
where:
bonds (distance) C4'-P energy: -30.350
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -50.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -516.540209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.540209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.540209 (E_RNA)
where:
Base-Base interactions energy: -354.437
where: short stacking energy: -144.471
Base-Backbone interact. energy: -0.589
local terms energy: -161.513676
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -41.212
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: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -522.255395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.255395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.255395 (E_RNA)
where:
Base-Base interactions energy: -358.737
where: short stacking energy: -156.323
Base-Backbone interact. energy: -0.775
local terms energy: -162.743423
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -49.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -506.640607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.640607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.640607 (E_RNA)
where:
Base-Base interactions energy: -336.594
where: short stacking energy: -146.764
Base-Backbone interact. energy: -0.500
local terms energy: -169.546645
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -430.727869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.727869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.727869 (E_RNA)
where:
Base-Base interactions energy: -286.835
where: short stacking energy: -125.230
Base-Backbone interact. energy: -0.479
local terms energy: -143.413268
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -40.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -406.846855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.846855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.846855 (E_RNA)
where:
Base-Base interactions energy: -277.213
where: short stacking energy: -112.649
Base-Backbone interact. energy: -0.729
local terms energy: -128.904946
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -22.327
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -392.804694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.804694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.804694 (E_RNA)
where:
Base-Base interactions energy: -256.388
where: short stacking energy: -97.267
Base-Backbone interact. energy: 0.098
local terms energy: -136.514695
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -30.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -168.043951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043951 (E_RNA)
where:
Base-Base interactions energy: -74.785
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.215
local terms energy: -93.043850
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: 1.184
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -144.619354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.619354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.619354 (E_RNA)
where:
Base-Base interactions energy: -62.636
where: short stacking energy: -39.514
Base-Backbone interact. energy: 0.455
local terms energy: -82.437828
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -26.197
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -144.633118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.633118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.633118 (E_RNA)
where:
Base-Base interactions energy: -47.518
where: short stacking energy: -45.098
Base-Backbone interact. energy: 1.914
local terms energy: -99.028494
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -539.691390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.691390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.691390 (E_RNA)
where:
Base-Base interactions energy: -377.020
where: short stacking energy: -153.082
Base-Backbone interact. energy: -0.884
local terms energy: -161.787427
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -37.599
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -522.143969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.143969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.143969 (E_RNA)
where:
Base-Base interactions energy: -352.062
where: short stacking energy: -152.094
Base-Backbone interact. energy: 1.225
local terms energy: -171.306561
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -35.216
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -48.617
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: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -510.912125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.912125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.912125 (E_RNA)
where:
Base-Base interactions energy: -350.727
where: short stacking energy: -155.998
Base-Backbone interact. energy: 0.181
local terms energy: -160.365278
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -49.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -511.185769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.185769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.185769 (E_RNA)
where:
Base-Base interactions energy: -343.773
where: short stacking energy: -159.368
Base-Backbone interact. energy: -0.960
local terms energy: -166.452722
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -48.361
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -439.797633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.797633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.797633 (E_RNA)
where:
Base-Base interactions energy: -297.434
where: short stacking energy: -134.763
Base-Backbone interact. energy: -0.137
local terms energy: -142.227327
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -396.325633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.325633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.325633 (E_RNA)
where:
Base-Base interactions energy: -264.229
where: short stacking energy: -115.468
Base-Backbone interact. energy: 1.452
local terms energy: -133.547787
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -29.008
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: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -376.888819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.888819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.888819 (E_RNA)
where:
Base-Base interactions energy: -247.812
where: short stacking energy: -102.040
Base-Backbone interact. energy: -0.723
local terms energy: -128.353729
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -164.443762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.443762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.443762 (E_RNA)
where:
Base-Base interactions energy: -62.893
where: short stacking energy: -60.623
Base-Backbone interact. energy: 0.688
local terms energy: -102.239117
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -25.593
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -153.330284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.330284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.330284 (E_RNA)
where:
Base-Base interactions energy: -52.926
where: short stacking energy: -48.169
Base-Backbone interact. energy: -0.882
local terms energy: -99.522724
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -138.327106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.327106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.327106 (E_RNA)
where:
Base-Base interactions energy: -51.074
where: short stacking energy: -47.046
Base-Backbone interact. energy: 0.506
local terms energy: -87.759496
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: 1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -528.692690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.692690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.692690 (E_RNA)
where:
Base-Base interactions energy: -360.943
where: short stacking energy: -161.771
Base-Backbone interact. energy: -0.307
local terms energy: -167.442578
where:
bonds (distance) C4'-P energy: -34.482
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -49.591
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: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -514.956709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.956709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.956709 (E_RNA)
where:
Base-Base interactions energy: -367.549
where: short stacking energy: -149.272
Base-Backbone interact. energy: 0.258
local terms energy: -147.665798
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -28.870
flat angles C4'-P-C4' energy: -34.325
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -44.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -531.154357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.154357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.154357 (E_RNA)
where:
Base-Base interactions energy: -357.049
where: short stacking energy: -153.743
Base-Backbone interact. energy: -0.370
local terms energy: -173.736107
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -48.319
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: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -493.470167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.470167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.470167 (E_RNA)
where:
Base-Base interactions energy: -336.429
where: short stacking energy: -145.075
Base-Backbone interact. energy: 1.663
local terms energy: -158.704240
where:
bonds (distance) C4'-P energy: -31.335
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -43.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -420.410265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.410265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.410265 (E_RNA)
where:
Base-Base interactions energy: -288.104
where: short stacking energy: -125.348
Base-Backbone interact. energy: -0.092
local terms energy: -132.214517
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -34.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -430.958146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.958146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.958146 (E_RNA)
where:
Base-Base interactions energy: -286.093
where: short stacking energy: -124.358
Base-Backbone interact. energy: -0.501
local terms energy: -144.364065
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -43.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -379.162209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.162209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.162209 (E_RNA)
where:
Base-Base interactions energy: -248.652
where: short stacking energy: -116.908
Base-Backbone interact. energy: -1.752
local terms energy: -128.758730
where:
bonds (distance) C4'-P energy: -24.466
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -157.615638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.615638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.615638 (E_RNA)
where:
Base-Base interactions energy: -73.941
where: short stacking energy: -57.237
Base-Backbone interact. energy: 6.284
local terms energy: -89.959071
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -181.862822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.862822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.862822 (E_RNA)
where:
Base-Base interactions energy: -92.253
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.320
local terms energy: -89.289437
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -138.498033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.498033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.498033 (E_RNA)
where:
Base-Base interactions energy: -54.036
where: short stacking energy: -47.807
Base-Backbone interact. energy: 1.702
local terms energy: -86.163959
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -537.114794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.114794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.114794 (E_RNA)
where:
Base-Base interactions energy: -362.673
where: short stacking energy: -159.688
Base-Backbone interact. energy: -1.151
local terms energy: -173.290384
where:
bonds (distance) C4'-P energy: -34.683
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -50.373
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -511.207521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.207521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.207521 (E_RNA)
where:
Base-Base interactions energy: -346.803
where: short stacking energy: -146.259
Base-Backbone interact. energy: -0.017
local terms energy: -164.388091
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -30.562
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -512.018078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.018078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.018078 (E_RNA)
where:
Base-Base interactions energy: -348.425
where: short stacking energy: -143.488
Base-Backbone interact. energy: -0.536
local terms energy: -163.057432
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -29.982
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -45.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -488.704713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.704713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.704713 (E_RNA)
where:
Base-Base interactions energy: -324.048
where: short stacking energy: -127.630
Base-Backbone interact. energy: -0.800
local terms energy: -163.857073
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -44.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -423.459141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.459141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.459141 (E_RNA)
where:
Base-Base interactions energy: -285.239
where: short stacking energy: -127.665
Base-Backbone interact. energy: -0.314
local terms energy: -137.906432
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -37.238
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: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -427.421635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.421635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.421635 (E_RNA)
where:
Base-Base interactions energy: -284.628
where: short stacking energy: -125.384
Base-Backbone interact. energy: -0.205
local terms energy: -142.588496
where:
bonds (distance) C4'-P energy: -24.395
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -34.480
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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -372.488358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.488358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.488358 (E_RNA)
where:
Base-Base interactions energy: -242.550
where: short stacking energy: -102.733
Base-Backbone interact. energy: -0.239
local terms energy: -129.698711
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -12.789
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: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -173.730728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.730728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.730728 (E_RNA)
where:
Base-Base interactions energy: -83.088
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.767
local terms energy: -89.875763
where:
bonds (distance) C4'-P energy: -27.899
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: 6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -150.954366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.954366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.954366 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -39.109
Base-Backbone interact. energy: -0.087
local terms energy: -95.538533
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -120.351061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.351061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.351061 (E_RNA)
where:
Base-Base interactions energy: -52.208
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.095
local terms energy: -68.047357
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -536.540643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.540643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.540643 (E_RNA)
where:
Base-Base interactions energy: -370.289
where: short stacking energy: -154.754
Base-Backbone interact. energy: -0.859
local terms energy: -165.392455
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -36.043
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -526.234528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.234528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.234528 (E_RNA)
where:
Base-Base interactions energy: -359.096
where: short stacking energy: -155.319
Base-Backbone interact. energy: 0.852
local terms energy: -167.990063
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -43.643
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: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -504.055608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.055608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.055608 (E_RNA)
where:
Base-Base interactions energy: -343.654
where: short stacking energy: -142.362
Base-Backbone interact. energy: -0.282
local terms energy: -160.119121
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -497.603313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.603313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.603313 (E_RNA)
where:
Base-Base interactions energy: -343.277
where: short stacking energy: -156.492
Base-Backbone interact. energy: 1.075
local terms energy: -155.400427
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -49.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -423.213615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.213615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.213615 (E_RNA)
where:
Base-Base interactions energy: -287.532
where: short stacking energy: -115.971
Base-Backbone interact. energy: -0.292
local terms energy: -135.389688
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -430.245323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.245323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.245323 (E_RNA)
where:
Base-Base interactions energy: -283.782
where: short stacking energy: -120.725
Base-Backbone interact. energy: -0.269
local terms energy: -146.193976
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -27.858
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -39.296
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: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -357.086492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.086492 (E_RNA)
where:
Base-Base interactions energy: -246.633
where: short stacking energy: -107.181
Base-Backbone interact. energy: -0.190
local terms energy: -110.263771
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -27.606
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -161.814016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.814016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.814016 (E_RNA)
where:
Base-Base interactions energy: -63.592
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.472
local terms energy: -97.750079
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -151.462186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.462186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.462186 (E_RNA)
where:
Base-Base interactions energy: -51.984
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.189
local terms energy: -99.289642
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -133.023118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.023118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.023118 (E_RNA)
where:
Base-Base interactions energy: -46.523
where: short stacking energy: -43.061
Base-Backbone interact. energy: 0.075
local terms energy: -86.575271
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -30.186
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -534.943926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.943926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.943926 (E_RNA)
where:
Base-Base interactions energy: -363.311
where: short stacking energy: -160.300
Base-Backbone interact. energy: -2.041
local terms energy: -169.591222
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -44.709
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: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -529.790290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.790290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.790290 (E_RNA)
where:
Base-Base interactions energy: -372.658
where: short stacking energy: -135.714
Base-Backbone interact. energy: -0.367
local terms energy: -156.765766
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -37.486
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: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -498.444581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.444581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.444581 (E_RNA)
where:
Base-Base interactions energy: -329.072
where: short stacking energy: -137.481
Base-Backbone interact. energy: -0.751
local terms energy: -168.621095
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -44.948
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: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -487.173089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.173089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.173089 (E_RNA)
where:
Base-Base interactions energy: -332.487
where: short stacking energy: -149.429
Base-Backbone interact. energy: -0.030
local terms energy: -154.656109
where:
bonds (distance) C4'-P energy: -26.447
bonds (distance) P-C4' energy: -36.112
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -46.619
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: 439
Temperature: 1.100000
Total energy: -407.094553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.094553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.094553 (E_RNA)
where:
Base-Base interactions energy: -275.669
where: short stacking energy: -117.943
Base-Backbone interact. energy: 0.961
local terms energy: -132.386087
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -28.363
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -418.219953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.219953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.219953 (E_RNA)
where:
Base-Base interactions energy: -271.188
where: short stacking energy: -111.647
Base-Backbone interact. energy: 2.107
local terms energy: -149.139127
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -31.632
flat angles C4'-P-C4' energy: -33.662
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -38.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -353.009989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.009989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.009989 (E_RNA)
where:
Base-Base interactions energy: -226.194
where: short stacking energy: -90.702
Base-Backbone interact. energy: -0.415
local terms energy: -126.400775
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -151.692186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.692186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.692186 (E_RNA)
where:
Base-Base interactions energy: -51.735
where: short stacking energy: -44.810
Base-Backbone interact. energy: 0.701
local terms energy: -100.658023
where:
bonds (distance) C4'-P energy: -23.263
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -20.117
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: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -141.962022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.962022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.962022 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -41.848
Base-Backbone interact. energy: -1.524
local terms energy: -96.081541
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: 3.460
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -148.702366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.702366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.702366 (E_RNA)
where:
Base-Base interactions energy: -49.679
where: short stacking energy: -39.261
Base-Backbone interact. energy: 0.183
local terms energy: -99.206410
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -16.448
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -528.483531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.483531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.483531 (E_RNA)
where:
Base-Base interactions energy: -367.374
where: short stacking energy: -155.412
Base-Backbone interact. energy: -1.221
local terms energy: -159.888583
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -530.084657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.084657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.084657 (E_RNA)
where:
Base-Base interactions energy: -370.625
where: short stacking energy: -152.951
Base-Backbone interact. energy: -0.629
local terms energy: -158.830568
where:
bonds (distance) C4'-P energy: -28.892
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -35.828
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: -44.407
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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -511.695511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.695511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.695511 (E_RNA)
where:
Base-Base interactions energy: -342.687
where: short stacking energy: -138.973
Base-Backbone interact. energy: -0.080
local terms energy: -168.928947
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -32.552
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -42.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -505.734521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.734521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.734521 (E_RNA)
where:
Base-Base interactions energy: -340.865
where: short stacking energy: -149.101
Base-Backbone interact. energy: -0.004
local terms energy: -164.865481
where:
bonds (distance) C4'-P energy: -25.518
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -432.915622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.915622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.915622 (E_RNA)
where:
Base-Base interactions energy: -278.559
where: short stacking energy: -128.428
Base-Backbone interact. energy: -0.077
local terms energy: -154.278981
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -41.037
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: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -410.778856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.778856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.778856 (E_RNA)
where:
Base-Base interactions energy: -271.861
where: short stacking energy: -117.487
Base-Backbone interact. energy: -0.657
local terms energy: -138.260104
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -28.359
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -34.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -317.283524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.283524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.283524 (E_RNA)
where:
Base-Base interactions energy: -188.118
where: short stacking energy: -92.167
Base-Backbone interact. energy: -1.271
local terms energy: -127.894383
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -170.919725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.919725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.919725 (E_RNA)
where:
Base-Base interactions energy: -63.096
where: short stacking energy: -54.338
Base-Backbone interact. energy: -1.084
local terms energy: -106.739532
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -145.560578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.560578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.560578 (E_RNA)
where:
Base-Base interactions energy: -58.947
where: short stacking energy: -29.892
Base-Backbone interact. energy: -1.012
local terms energy: -85.602308
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: 4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -120.495700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.495700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.495700 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.117
local terms energy: -78.792906
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: 10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -528.247484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.247484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.247484 (E_RNA)
where:
Base-Base interactions energy: -363.009
where: short stacking energy: -148.191
Base-Backbone interact. energy: -0.720
local terms energy: -164.518206
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -43.042
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -516.347053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.347053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.347053 (E_RNA)
where:
Base-Base interactions energy: -348.557
where: short stacking energy: -157.624
Base-Backbone interact. energy: -0.044
local terms energy: -167.746522
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -31.859
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -521.548249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.548249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.548249 (E_RNA)
where:
Base-Base interactions energy: -347.607
where: short stacking energy: -146.532
Base-Backbone interact. energy: -0.216
local terms energy: -173.725094
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -48.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -490.896295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.896295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.896295 (E_RNA)
where:
Base-Base interactions energy: -330.639
where: short stacking energy: -137.548
Base-Backbone interact. energy: -0.470
local terms energy: -159.787487
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -42.766
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: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -431.989849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.989849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.989849 (E_RNA)
where:
Base-Base interactions energy: -285.196
where: short stacking energy: -129.069
Base-Backbone interact. energy: -0.286
local terms energy: -146.508248
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -418.566067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.566067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.566067 (E_RNA)
where:
Base-Base interactions energy: -279.520
where: short stacking energy: -106.094
Base-Backbone interact. energy: -0.322
local terms energy: -138.724248
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -33.008
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -327.591859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.591859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.591859 (E_RNA)
where:
Base-Base interactions energy: -185.582
where: short stacking energy: -82.300
Base-Backbone interact. energy: 0.204
local terms energy: -142.213776
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -147.026621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.026621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.026621 (E_RNA)
where:
Base-Base interactions energy: -50.956
where: short stacking energy: -34.226
Base-Backbone interact. energy: 0.049
local terms energy: -96.119407
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -162.591531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.591531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.591531 (E_RNA)
where:
Base-Base interactions energy: -54.760
where: short stacking energy: -46.339
Base-Backbone interact. energy: -0.370
local terms energy: -107.460907
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -31.513
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -133.720877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.720877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.720877 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -32.734
Base-Backbone interact. energy: -1.474
local terms energy: -92.190863
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -531.240454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.240454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.240454 (E_RNA)
where:
Base-Base interactions energy: -359.455
where: short stacking energy: -158.004
Base-Backbone interact. energy: -0.194
local terms energy: -171.591820
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -34.853
flat angles P-C4'-P energy: -28.216
tors. eta vs tors. theta energy: -45.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -523.405297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.405297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.405297 (E_RNA)
where:
Base-Base interactions energy: -369.094
where: short stacking energy: -149.389
Base-Backbone interact. energy: -1.320
local terms energy: -152.990899
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -36.917
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: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -522.926085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.926085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.926085 (E_RNA)
where:
Base-Base interactions energy: -349.066
where: short stacking energy: -154.078
Base-Backbone interact. energy: 0.916
local terms energy: -174.776252
where:
bonds (distance) C4'-P energy: -29.225
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -35.341
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -51.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -495.773600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.773600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.773600 (E_RNA)
where:
Base-Base interactions energy: -333.313
where: short stacking energy: -146.496
Base-Backbone interact. energy: -0.291
local terms energy: -162.169816
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -43.495
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: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -426.662486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.662486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.662486 (E_RNA)
where:
Base-Base interactions energy: -278.741
where: short stacking energy: -115.246
Base-Backbone interact. energy: -0.218
local terms energy: -147.703117
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -26.427
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -403.152419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.152419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.152419 (E_RNA)
where:
Base-Base interactions energy: -262.854
where: short stacking energy: -119.560
Base-Backbone interact. energy: -0.297
local terms energy: -140.001692
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -301.945874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.945874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.945874 (E_RNA)
where:
Base-Base interactions energy: -184.621
where: short stacking energy: -86.079
Base-Backbone interact. energy: -0.322
local terms energy: -117.002762
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -183.568219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.568219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.568219 (E_RNA)
where:
Base-Base interactions energy: -90.401
where: short stacking energy: -47.750
Base-Backbone interact. energy: -0.641
local terms energy: -92.525724
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -150.067889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.067889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.067889 (E_RNA)
where:
Base-Base interactions energy: -61.016
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.491
local terms energy: -88.560479
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -153.259623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.259623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.259623 (E_RNA)
where:
Base-Base interactions energy: -56.273
where: short stacking energy: -41.336
Base-Backbone interact. energy: 1.387
local terms energy: -98.373820
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -534.749145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.749145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.749145 (E_RNA)
where:
Base-Base interactions energy: -371.924
where: short stacking energy: -161.976
Base-Backbone interact. energy: -0.060
local terms energy: -162.765796
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -40.818
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: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -519.271885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.271885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.271885 (E_RNA)
where:
Base-Base interactions energy: -354.874
where: short stacking energy: -145.139
Base-Backbone interact. energy: -0.292
local terms energy: -164.106025
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -39.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -513.478199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.478199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.478199 (E_RNA)
where:
Base-Base interactions energy: -357.517
where: short stacking energy: -142.027
Base-Backbone interact. energy: -0.223
local terms energy: -155.738479
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -42.600
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: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -507.926418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.926418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.926418 (E_RNA)
where:
Base-Base interactions energy: -340.499
where: short stacking energy: -137.640
Base-Backbone interact. energy: -0.067
local terms energy: -167.360621
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -46.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -426.449032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.449032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.449032 (E_RNA)
where:
Base-Base interactions energy: -295.037
where: short stacking energy: -116.798
Base-Backbone interact. energy: -0.232
local terms energy: -131.180433
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -41.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -388.443370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.443370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.443370 (E_RNA)
where:
Base-Base interactions energy: -265.583
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.520
local terms energy: -122.340140
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -28.774
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -320.065563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.065563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.065563 (E_RNA)
where:
Base-Base interactions energy: -186.020
where: short stacking energy: -101.998
Base-Backbone interact. energy: -0.002
local terms energy: -134.043457
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -35.823
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: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -161.885447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.885447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885447 (E_RNA)
where:
Base-Base interactions energy: -69.148
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.497
local terms energy: -92.241073
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -143.623642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.623642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.623642 (E_RNA)
where:
Base-Base interactions energy: -62.428
where: short stacking energy: -48.275
Base-Backbone interact. energy: 2.881
local terms energy: -84.076627
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -167.705137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.705137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.705137 (E_RNA)
where:
Base-Base interactions energy: -73.035
where: short stacking energy: -45.911
Base-Backbone interact. energy: 0.373
local terms energy: -95.043843
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -1.141
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: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -538.847746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.847746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.847746 (E_RNA)
where:
Base-Base interactions energy: -369.048
where: short stacking energy: -151.903
Base-Backbone interact. energy: -0.135
local terms energy: -169.664983
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -511.695759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.695759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.695759 (E_RNA)
where:
Base-Base interactions energy: -349.285
where: short stacking energy: -148.618
Base-Backbone interact. energy: -0.019
local terms energy: -162.391519
where:
bonds (distance) C4'-P energy: -32.213
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -42.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -515.539161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.539161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.539161 (E_RNA)
where:
Base-Base interactions energy: -359.411
where: short stacking energy: -144.866
Base-Backbone interact. energy: -0.826
local terms energy: -155.301744
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -46.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -502.589676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.589676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.589676 (E_RNA)
where:
Base-Base interactions energy: -348.131
where: short stacking energy: -133.965
Base-Backbone interact. energy: -0.098
local terms energy: -154.360594
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -40.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -442.186621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.186621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.186621 (E_RNA)
where:
Base-Base interactions energy: -298.475
where: short stacking energy: -132.993
Base-Backbone interact. energy: -0.763
local terms energy: -142.948495
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -38.311
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: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -401.892279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.892279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.892279 (E_RNA)
where:
Base-Base interactions energy: -266.784
where: short stacking energy: -108.360
Base-Backbone interact. energy: -1.069
local terms energy: -134.039433
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -26.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -324.309655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.309655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.309655 (E_RNA)
where:
Base-Base interactions energy: -190.574
where: short stacking energy: -87.954
Base-Backbone interact. energy: -0.177
local terms energy: -133.559226
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -152.450647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.450647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.450647 (E_RNA)
where:
Base-Base interactions energy: -58.983
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.194
local terms energy: -93.273748
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -144.176626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.176626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.176626 (E_RNA)
where:
Base-Base interactions energy: -69.699
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.957
local terms energy: -73.521284
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -30.272
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -1.138
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -134.017437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.017437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.017437 (E_RNA)
where:
Base-Base interactions energy: -38.683
where: short stacking energy: -33.613
Base-Backbone interact. energy: 1.640
local terms energy: -96.974727
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -35.364
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: 2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -532.550072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.550072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.550072 (E_RNA)
where:
Base-Base interactions energy: -366.327
where: short stacking energy: -149.795
Base-Backbone interact. energy: 2.125
local terms energy: -168.348804
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -50.130
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: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -521.031076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.031076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.031076 (E_RNA)
where:
Base-Base interactions energy: -358.777
where: short stacking energy: -156.909
Base-Backbone interact. energy: -0.062
local terms energy: -162.192509
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -505.890945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.890945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.890945 (E_RNA)
where:
Base-Base interactions energy: -354.434
where: short stacking energy: -135.019
Base-Backbone interact. energy: -0.222
local terms energy: -151.234252
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -497.644363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.644363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.644363 (E_RNA)
where:
Base-Base interactions energy: -343.217
where: short stacking energy: -151.759
Base-Backbone interact. energy: 0.345
local terms energy: -154.771844
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -443.846103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.846103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.846103 (E_RNA)
where:
Base-Base interactions energy: -283.257
where: short stacking energy: -132.535
Base-Backbone interact. energy: -0.302
local terms energy: -160.287515
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -421.916084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.916084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.916084 (E_RNA)
where:
Base-Base interactions energy: -283.404
where: short stacking energy: -111.428
Base-Backbone interact. energy: -0.260
local terms energy: -138.252418
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -36.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -352.858001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.858001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.858001 (E_RNA)
where:
Base-Base interactions energy: -207.034
where: short stacking energy: -97.120
Base-Backbone interact. energy: -0.169
local terms energy: -145.654477
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -26.689
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -150.628643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.628643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.628643 (E_RNA)
where:
Base-Base interactions energy: -52.251
where: short stacking energy: -45.585
Base-Backbone interact. energy: -0.335
local terms energy: -98.042931
where:
bonds (distance) C4'-P energy: -28.626
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -157.623226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.623226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.623226 (E_RNA)
where:
Base-Base interactions energy: -65.653
where: short stacking energy: -51.001
Base-Backbone interact. energy: -0.459
local terms energy: -91.511953
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -132.720507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.720507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.720507 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.647
local terms energy: -94.044229
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -535.196854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.196854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.196854 (E_RNA)
where:
Base-Base interactions energy: -365.592
where: short stacking energy: -156.249
Base-Backbone interact. energy: -0.952
local terms energy: -168.652440
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -37.928
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -47.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -510.969449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.969449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.969449 (E_RNA)
where:
Base-Base interactions energy: -341.738
where: short stacking energy: -143.564
Base-Backbone interact. energy: -0.033
local terms energy: -169.198597
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -50.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -513.483962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.483962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.483962 (E_RNA)
where:
Base-Base interactions energy: -358.047
where: short stacking energy: -151.939
Base-Backbone interact. energy: -0.121
local terms energy: -155.315570
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -48.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -498.906514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.906514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.906514 (E_RNA)
where:
Base-Base interactions energy: -342.933
where: short stacking energy: -148.877
Base-Backbone interact. energy: -0.087
local terms energy: -155.886418
where:
bonds (distance) C4'-P energy: -26.728
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -43.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -432.824250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.824250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.824250 (E_RNA)
where:
Base-Base interactions energy: -290.407
where: short stacking energy: -135.155
Base-Backbone interact. energy: -0.308
local terms energy: -142.108615
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -36.896
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -385.240128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.240128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.240128 (E_RNA)
where:
Base-Base interactions energy: -260.843
where: short stacking energy: -119.126
Base-Backbone interact. energy: -0.515
local terms energy: -123.881937
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -15.649
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: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -376.778274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.778274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.778274 (E_RNA)
where:
Base-Base interactions energy: -235.191
where: short stacking energy: -107.264
Base-Backbone interact. energy: -0.296
local terms energy: -141.291507
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -190.301888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.301888 (E_RNA)
where:
Base-Base interactions energy: -97.062
where: short stacking energy: -60.302
Base-Backbone interact. energy: -1.180
local terms energy: -92.059977
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -155.473152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.473152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.473152 (E_RNA)
where:
Base-Base interactions energy: -58.906
where: short stacking energy: -45.522
Base-Backbone interact. energy: 0.027
local terms energy: -96.593484
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -17.376
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: 10, replica: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -131.114506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.114506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.114506 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -48.011
Base-Backbone interact. energy: 0.126
local terms energy: -80.695832
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -531.081040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.081040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.081040 (E_RNA)
where:
Base-Base interactions energy: -365.916
where: short stacking energy: -145.477
Base-Backbone interact. energy: -0.696
local terms energy: -164.469314
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -40.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -509.527252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.527252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.527252 (E_RNA)
where:
Base-Base interactions energy: -346.413
where: short stacking energy: -138.610
Base-Backbone interact. energy: -1.026
local terms energy: -162.088280
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -38.386
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -497.504999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.504999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.504999 (E_RNA)
where:
Base-Base interactions energy: -334.049
where: short stacking energy: -141.747
Base-Backbone interact. energy: -0.257
local terms energy: -163.198669
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -44.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -445.475100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.475100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.475100 (E_RNA)
where:
Base-Base interactions energy: -296.509
where: short stacking energy: -138.170
Base-Backbone interact. energy: 0.103
local terms energy: -149.068873
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -43.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -445.375684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.375684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.375684 (E_RNA)
where:
Base-Base interactions energy: -296.108
where: short stacking energy: -130.575
Base-Backbone interact. energy: -0.458
local terms energy: -148.809698
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -41.385
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: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -384.066535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.066535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.066535 (E_RNA)
where:
Base-Base interactions energy: -263.014
where: short stacking energy: -119.276
Base-Backbone interact. energy: 1.570
local terms energy: -122.622106
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -19.236
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: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -413.741266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.741266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.741266 (E_RNA)
where:
Base-Base interactions energy: -274.149
where: short stacking energy: -98.684
Base-Backbone interact. energy: -1.510
local terms energy: -138.082101
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -19.142
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: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -214.463377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.463377 (E_RNA)
where:
Base-Base interactions energy: -104.896
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.143
local terms energy: -109.425038
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -146.903790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.903790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.903790 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.318
local terms energy: -92.527500
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -147.195644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.195644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.195644 (E_RNA)
where:
Base-Base interactions energy: -53.393
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.412
local terms energy: -93.391101
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -529.427747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.427747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.427747 (E_RNA)
where:
Base-Base interactions energy: -366.418
where: short stacking energy: -155.516
Base-Backbone interact. energy: -1.216
local terms energy: -161.793433
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -29.388
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -42.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -531.447184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.447184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.447184 (E_RNA)
where:
Base-Base interactions energy: -368.877
where: short stacking energy: -156.880
Base-Backbone interact. energy: -0.547
local terms energy: -162.023428
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -34.173
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -43.859
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: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -509.541665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.541665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.541665 (E_RNA)
where:
Base-Base interactions energy: -345.394
where: short stacking energy: -151.002
Base-Backbone interact. energy: -0.094
local terms energy: -164.053360
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -442.160025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.160025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.160025 (E_RNA)
where:
Base-Base interactions energy: -299.300
where: short stacking energy: -124.262
Base-Backbone interact. energy: 1.786
local terms energy: -144.646530
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -23.572
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: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -450.849726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.849726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.849726 (E_RNA)
where:
Base-Base interactions energy: -297.670
where: short stacking energy: -129.663
Base-Backbone interact. energy: -0.163
local terms energy: -153.016561
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -38.702
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -373.329145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.329145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.329145 (E_RNA)
where:
Base-Base interactions energy: -237.959
where: short stacking energy: -109.550
Base-Backbone interact. energy: -0.130
local terms energy: -135.240843
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -27.869
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -419.839904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.839904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.839904 (E_RNA)
where:
Base-Base interactions energy: -266.495
where: short stacking energy: -112.745
Base-Backbone interact. energy: -1.143
local terms energy: -152.201762
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -24.027
tors. eta vs tors. theta energy: -33.996
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: 448
Temperature: 1.250000
Total energy: -197.978661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.978661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.978661 (E_RNA)
where:
Base-Base interactions energy: -99.332
where: short stacking energy: -46.231
Base-Backbone interact. energy: 0.381
local terms energy: -99.027462
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -6.065
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -152.843449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.843449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.843449 (E_RNA)
where:
Base-Base interactions energy: -55.590
where: short stacking energy: -44.412
Base-Backbone interact. energy: 3.365
local terms energy: -100.618247
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -29.695
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -15.074
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: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -133.968899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.968899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.968899 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -26.242
Base-Backbone interact. energy: -0.368
local terms energy: -95.923376
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: 3.898
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: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -520.122576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.122576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.122576 (E_RNA)
where:
Base-Base interactions energy: -355.166
where: short stacking energy: -149.371
Base-Backbone interact. energy: -0.027
local terms energy: -164.929623
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -47.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -529.516323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.516323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.516323 (E_RNA)
where:
Base-Base interactions energy: -369.574
where: short stacking energy: -156.264
Base-Backbone interact. energy: -0.017
local terms energy: -159.925359
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -36.269
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -499.962428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.962428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.962428 (E_RNA)
where:
Base-Base interactions energy: -344.242
where: short stacking energy: -145.745
Base-Backbone interact. energy: -0.593
local terms energy: -155.127238
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -46.286
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: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -438.335936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.335936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.335936 (E_RNA)
where:
Base-Base interactions energy: -289.436
where: short stacking energy: -134.825
Base-Backbone interact. energy: -0.717
local terms energy: -148.182745
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -27.164
flat angles C4'-P-C4' energy: -32.670
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -42.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -433.235646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.235646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.235646 (E_RNA)
where:
Base-Base interactions energy: -286.246
where: short stacking energy: -111.960
Base-Backbone interact. energy: -0.730
local terms energy: -146.260300
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -32.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -371.138666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.138666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.138666 (E_RNA)
where:
Base-Base interactions energy: -236.723
where: short stacking energy: -92.071
Base-Backbone interact. energy: 0.844
local terms energy: -135.259156
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -19.411
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: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -382.913130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.913130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.913130 (E_RNA)
where:
Base-Base interactions energy: -235.537
where: short stacking energy: -114.953
Base-Backbone interact. energy: -0.197
local terms energy: -147.179475
where:
bonds (distance) C4'-P energy: -30.962
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -37.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -167.548496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.548496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.548496 (E_RNA)
where:
Base-Base interactions energy: -74.200
where: short stacking energy: -47.000
Base-Backbone interact. energy: 2.171
local terms energy: -95.519419
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: 0.974
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: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -155.006726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.006726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.006726 (E_RNA)
where:
Base-Base interactions energy: -70.628
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.180
local terms energy: -84.199350
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -8.358
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: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -146.967307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.967307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.967307 (E_RNA)
where:
Base-Base interactions energy: -61.436
where: short stacking energy: -43.489
Base-Backbone interact. energy: 0.200
local terms energy: -85.730873
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -538.576245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.576245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.576245 (E_RNA)
where:
Base-Base interactions energy: -376.387
where: short stacking energy: -151.221
Base-Backbone interact. energy: -0.612
local terms energy: -161.577197
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -33.407
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -44.341
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: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -513.098758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.098758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.098758 (E_RNA)
where:
Base-Base interactions energy: -347.282
where: short stacking energy: -144.969
Base-Backbone interact. energy: -0.482
local terms energy: -165.335331
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -45.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -497.729878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.729878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.729878 (E_RNA)
where:
Base-Base interactions energy: -341.951
where: short stacking energy: -140.257
Base-Backbone interact. energy: -1.009
local terms energy: -154.770505
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -436.707025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.707025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.707025 (E_RNA)
where:
Base-Base interactions energy: -292.910
where: short stacking energy: -131.343
Base-Backbone interact. energy: -0.176
local terms energy: -143.621234
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -40.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -444.236734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.236734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.236734 (E_RNA)
where:
Base-Base interactions energy: -297.579
where: short stacking energy: -116.583
Base-Backbone interact. energy: -0.113
local terms energy: -146.545479
where:
bonds (distance) C4'-P energy: -27.014
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -410.016000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.016000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.016000 (E_RNA)
where:
Base-Base interactions energy: -276.061
where: short stacking energy: -102.611
Base-Backbone interact. energy: -0.729
local terms energy: -133.225406
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -373.887159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.887159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.887159 (E_RNA)
where:
Base-Base interactions energy: -243.110
where: short stacking energy: -116.192
Base-Backbone interact. energy: -0.264
local terms energy: -130.513033
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -33.535
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -31.449
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: 450
Temperature: 1.250000
Total energy: -157.878963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.878963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.878963 (E_RNA)
where:
Base-Base interactions energy: -60.310
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.918
local terms energy: -96.651890
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -159.864715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.864715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.864715 (E_RNA)
where:
Base-Base interactions energy: -70.857
where: short stacking energy: -43.446
Base-Backbone interact. energy: 0.227
local terms energy: -89.234283
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -145.790911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.790911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.790911 (E_RNA)
where:
Base-Base interactions energy: -48.368
where: short stacking energy: -36.735
Base-Backbone interact. energy: -0.496
local terms energy: -96.927622
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -533.482633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.482633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.482633 (E_RNA)
where:
Base-Base interactions energy: -369.017
where: short stacking energy: -156.241
Base-Backbone interact. energy: -0.438
local terms energy: -164.027741
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -43.841
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: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -516.633117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.633117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.633117 (E_RNA)
where:
Base-Base interactions energy: -357.604
where: short stacking energy: -149.344
Base-Backbone interact. energy: 0.139
local terms energy: -159.167278
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -49.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -498.470645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.470645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.470645 (E_RNA)
where:
Base-Base interactions energy: -349.639
where: short stacking energy: -145.357
Base-Backbone interact. energy: -0.026
local terms energy: -148.805658
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -42.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -503.049226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.049226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.049226 (E_RNA)
where:
Base-Base interactions energy: -351.934
where: short stacking energy: -144.002
Base-Backbone interact. energy: 1.764
local terms energy: -152.879412
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -42.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -430.729452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.729452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.729452 (E_RNA)
where:
Base-Base interactions energy: -292.493
where: short stacking energy: -129.864
Base-Backbone interact. energy: 0.430
local terms energy: -138.666781
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -38.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -360.806409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.806409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.806409 (E_RNA)
where:
Base-Base interactions energy: -228.570
where: short stacking energy: -111.060
Base-Backbone interact. energy: -0.173
local terms energy: -132.063815
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -18.947
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -371.452308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.452308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.452308 (E_RNA)
where:
Base-Base interactions energy: -245.426
where: short stacking energy: -102.120
Base-Backbone interact. energy: -0.688
local terms energy: -125.337376
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -179.052425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.052425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.052425 (E_RNA)
where:
Base-Base interactions energy: -77.383
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.657
local terms energy: -101.011939
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -20.299
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -142.498205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.498205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.498205 (E_RNA)
where:
Base-Base interactions energy: -44.647
where: short stacking energy: -36.915
Base-Backbone interact. energy: -0.358
local terms energy: -97.493182
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -147.324446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.324446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.324446 (E_RNA)
where:
Base-Base interactions energy: -54.904
where: short stacking energy: -49.888
Base-Backbone interact. energy: 1.149
local terms energy: -93.569624
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -534.290444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.290444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.290444 (E_RNA)
where:
Base-Base interactions energy: -367.541
where: short stacking energy: -148.830
Base-Backbone interact. energy: -0.900
local terms energy: -165.849800
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -44.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -517.669689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.669689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.669689 (E_RNA)
where:
Base-Base interactions energy: -347.847
where: short stacking energy: -141.371
Base-Backbone interact. energy: -0.363
local terms energy: -169.459730
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -46.671
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: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -503.502116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.502116 (E_RNA)
where:
Base-Base interactions energy: -338.886
where: short stacking energy: -132.163
Base-Backbone interact. energy: 0.651
local terms energy: -165.266633
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -33.378
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -40.321
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: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -499.507150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.507150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.507150 (E_RNA)
where:
Base-Base interactions energy: -346.254
where: short stacking energy: -139.451
Base-Backbone interact. energy: -0.443
local terms energy: -152.810405
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -40.600
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: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -429.971883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.971883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.971883 (E_RNA)
where:
Base-Base interactions energy: -286.967
where: short stacking energy: -136.242
Base-Backbone interact. energy: 0.127
local terms energy: -143.131769
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -39.431
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: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -317.841485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.841485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.841485 (E_RNA)
where:
Base-Base interactions energy: -196.581
where: short stacking energy: -92.436
Base-Backbone interact. energy: -1.495
local terms energy: -119.765141
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -31.176
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -378.900205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.900205 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -112.892
Base-Backbone interact. energy: -0.140
local terms energy: -145.795172
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -31.752
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -39.068
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: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -157.282089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.282089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.282089 (E_RNA)
where:
Base-Base interactions energy: -56.721
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.941
local terms energy: -99.619982
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -157.286657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.286657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.286657 (E_RNA)
where:
Base-Base interactions energy: -71.375
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.600
local terms energy: -85.311623
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -28.492
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: 5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -147.892737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.892737 (E_RNA)
where:
Base-Base interactions energy: -55.941
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.476
local terms energy: -91.475624
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -526.768980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.768980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.768980 (E_RNA)
where:
Base-Base interactions energy: -355.321
where: short stacking energy: -154.635
Base-Backbone interact. energy: -0.375
local terms energy: -171.073025
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -32.613
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -47.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -519.174055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.174055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.174055 (E_RNA)
where:
Base-Base interactions energy: -364.355
where: short stacking energy: -145.464
Base-Backbone interact. energy: -0.970
local terms energy: -153.849500
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -40.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -510.512984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.512984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.512984 (E_RNA)
where:
Base-Base interactions energy: -344.751
where: short stacking energy: -145.806
Base-Backbone interact. energy: -0.270
local terms energy: -165.491997
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -50.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -491.337298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.337298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.337298 (E_RNA)
where:
Base-Base interactions energy: -328.029
where: short stacking energy: -140.801
Base-Backbone interact. energy: -0.032
local terms energy: -163.275773
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -46.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -415.485173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.485173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.485173 (E_RNA)
where:
Base-Base interactions energy: -270.686
where: short stacking energy: -116.523
Base-Backbone interact. energy: -0.031
local terms energy: -144.768932
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -36.990
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: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -377.887790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.887790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.887790 (E_RNA)
where:
Base-Base interactions energy: -251.750
where: short stacking energy: -105.748
Base-Backbone interact. energy: -1.405
local terms energy: -124.732804
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -25.854
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -311.993030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.993030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.993030 (E_RNA)
where:
Base-Base interactions energy: -187.772
where: short stacking energy: -87.942
Base-Backbone interact. energy: -0.291
local terms energy: -123.929690
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -155.504020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504020 (E_RNA)
where:
Base-Base interactions energy: -58.298
where: short stacking energy: -50.631
Base-Backbone interact. energy: -1.541
local terms energy: -95.665671
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -17.039
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -167.736088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.736088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.736088 (E_RNA)
where:
Base-Base interactions energy: -64.865
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.551
local terms energy: -102.320313
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -157.112098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.112098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.112098 (E_RNA)
where:
Base-Base interactions energy: -53.780
where: short stacking energy: -46.428
Base-Backbone interact. energy: -0.671
local terms energy: -102.661169
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -527.057623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.057623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.057623 (E_RNA)
where:
Base-Base interactions energy: -356.968
where: short stacking energy: -142.852
Base-Backbone interact. energy: -0.138
local terms energy: -169.951640
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -522.244746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.244746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.244746 (E_RNA)
where:
Base-Base interactions energy: -357.203
where: short stacking energy: -146.587
Base-Backbone interact. energy: -0.101
local terms energy: -164.940717
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -34.909
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -515.773773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.773773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.773773 (E_RNA)
where:
Base-Base interactions energy: -362.364
where: short stacking energy: -144.079
Base-Backbone interact. energy: -0.705
local terms energy: -152.704603
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -41.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -495.398511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.398511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.398511 (E_RNA)
where:
Base-Base interactions energy: -344.585
where: short stacking energy: -136.866
Base-Backbone interact. energy: -0.395
local terms energy: -150.419187
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -39.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -430.626089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.626089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.626089 (E_RNA)
where:
Base-Base interactions energy: -281.329
where: short stacking energy: -132.486
Base-Backbone interact. energy: -0.780
local terms energy: -148.516514
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -32.887
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -35.807
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: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -380.525550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.525550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.525550 (E_RNA)
where:
Base-Base interactions energy: -247.321
where: short stacking energy: -95.286
Base-Backbone interact. energy: -0.729
local terms energy: -132.475706
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -21.168
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: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -321.847437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.847437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.847437 (E_RNA)
where:
Base-Base interactions energy: -189.160
where: short stacking energy: -97.370
Base-Backbone interact. energy: -0.289
local terms energy: -132.398012
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -191.147795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.147795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147795 (E_RNA)
where:
Base-Base interactions energy: -90.688
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.981
local terms energy: -99.478451
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -158.269250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.269250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.269250 (E_RNA)
where:
Base-Base interactions energy: -53.933
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.468
local terms energy: -103.868818
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -159.649384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.649384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.649384 (E_RNA)
where:
Base-Base interactions energy: -64.399
where: short stacking energy: -57.575
Base-Backbone interact. energy: 0.772
local terms energy: -96.022301
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -515.893019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.893019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.893019 (E_RNA)
where:
Base-Base interactions energy: -369.143
where: short stacking energy: -143.040
Base-Backbone interact. energy: -1.053
local terms energy: -145.697245
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -42.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -520.363863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.363863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.363863 (E_RNA)
where:
Base-Base interactions energy: -364.976
where: short stacking energy: -140.629
Base-Backbone interact. energy: -0.065
local terms energy: -155.322897
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -39.927
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: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -511.473487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.473487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.473487 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -145.978
Base-Backbone interact. energy: -0.105
local terms energy: -160.931127
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -36.605
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -42.709
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -491.813124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.813124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.813124 (E_RNA)
where:
Base-Base interactions energy: -330.962
where: short stacking energy: -140.279
Base-Backbone interact. energy: -0.327
local terms energy: -160.524365
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -429.774254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.774254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.774254 (E_RNA)
where:
Base-Base interactions energy: -286.817
where: short stacking energy: -123.634
Base-Backbone interact. energy: -0.733
local terms energy: -142.224130
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -37.712
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: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -403.814943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.814943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.814943 (E_RNA)
where:
Base-Base interactions energy: -270.596
where: short stacking energy: -117.386
Base-Backbone interact. energy: 1.072
local terms energy: -134.291036
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -36.936
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -35.526
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: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -321.603836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.603836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.603836 (E_RNA)
where:
Base-Base interactions energy: -198.230
where: short stacking energy: -96.814
Base-Backbone interact. energy: 2.491
local terms energy: -125.864801
where:
bonds (distance) C4'-P energy: -24.874
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -30.855
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -199.736842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.736842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.736842 (E_RNA)
where:
Base-Base interactions energy: -100.893
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.055
local terms energy: -98.789401
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -164.352579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.352579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.352579 (E_RNA)
where:
Base-Base interactions energy: -65.240
where: short stacking energy: -56.494
Base-Backbone interact. energy: -1.404
local terms energy: -97.708902
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -134.255201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.255201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.255201 (E_RNA)
where:
Base-Base interactions energy: -51.308
where: short stacking energy: -43.140
Base-Backbone interact. energy: 1.685
local terms energy: -84.632588
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -529.717034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.717034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.717034 (E_RNA)
where:
Base-Base interactions energy: -363.073
where: short stacking energy: -148.938
Base-Backbone interact. energy: -0.037
local terms energy: -166.606763
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -48.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -519.374511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.374511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.374511 (E_RNA)
where:
Base-Base interactions energy: -364.095
where: short stacking energy: -143.497
Base-Backbone interact. energy: -0.061
local terms energy: -155.219062
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -42.991
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: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -497.920630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.920630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.920630 (E_RNA)
where:
Base-Base interactions energy: -343.122
where: short stacking energy: -148.269
Base-Backbone interact. energy: -0.512
local terms energy: -154.286348
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -487.824170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.824170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.824170 (E_RNA)
where:
Base-Base interactions energy: -340.970
where: short stacking energy: -138.001
Base-Backbone interact. energy: -0.208
local terms energy: -146.646239
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -43.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -394.556105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.556105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.556105 (E_RNA)
where:
Base-Base interactions energy: -259.623
where: short stacking energy: -112.491
Base-Backbone interact. energy: -0.188
local terms energy: -134.745067
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -28.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -429.904954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.904954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.904954 (E_RNA)
where:
Base-Base interactions energy: -284.720
where: short stacking energy: -134.302
Base-Backbone interact. energy: 0.015
local terms energy: -145.200274
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -44.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -308.641504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.641504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.641504 (E_RNA)
where:
Base-Base interactions energy: -186.417
where: short stacking energy: -89.891
Base-Backbone interact. energy: -0.170
local terms energy: -122.055247
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -33.338
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -15.431
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: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -208.741029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.741029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.741029 (E_RNA)
where:
Base-Base interactions energy: -107.493
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.125
local terms energy: -101.123818
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -28.948
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -8.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -151.600590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.600590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.600590 (E_RNA)
where:
Base-Base interactions energy: -47.810
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.276
local terms energy: -103.514613
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -10.396
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: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -140.346467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.346467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.346467 (E_RNA)
where:
Base-Base interactions energy: -42.063
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.261
local terms energy: -98.022346
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -530.415959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.415959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.415959 (E_RNA)
where:
Base-Base interactions energy: -368.433
where: short stacking energy: -144.652
Base-Backbone interact. energy: -0.614
local terms energy: -161.369259
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -502.921681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.921681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.921681 (E_RNA)
where:
Base-Base interactions energy: -354.457
where: short stacking energy: -145.268
Base-Backbone interact. energy: -0.304
local terms energy: -148.160621
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -32.250
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -39.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -501.490134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.490134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.490134 (E_RNA)
where:
Base-Base interactions energy: -354.922
where: short stacking energy: -144.629
Base-Backbone interact. energy: -0.768
local terms energy: -145.801067
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -33.408
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -42.678
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -479.757118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.757118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.757118 (E_RNA)
where:
Base-Base interactions energy: -329.528
where: short stacking energy: -139.018
Base-Backbone interact. energy: 2.018
local terms energy: -152.246759
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -40.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -415.804362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.804362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.804362 (E_RNA)
where:
Base-Base interactions energy: -272.119
where: short stacking energy: -113.751
Base-Backbone interact. energy: -0.591
local terms energy: -143.093968
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -30.002
flat angles C4'-P-C4' energy: -34.879
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -31.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -439.503929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.503929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.503929 (E_RNA)
where:
Base-Base interactions energy: -300.353
where: short stacking energy: -124.090
Base-Backbone interact. energy: -1.263
local terms energy: -137.888537
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -35.898
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: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -347.610284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.610284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.610284 (E_RNA)
where:
Base-Base interactions energy: -223.984
where: short stacking energy: -92.629
Base-Backbone interact. energy: -0.416
local terms energy: -123.211118
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -18.754
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: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -208.900384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.900384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900384 (E_RNA)
where:
Base-Base interactions energy: -104.847
where: short stacking energy: -60.198
Base-Backbone interact. energy: 2.174
local terms energy: -106.227780
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -148.213522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.213522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.213522 (E_RNA)
where:
Base-Base interactions energy: -54.029
where: short stacking energy: -47.320
Base-Backbone interact. energy: -1.410
local terms energy: -92.774441
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -144.181538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.181538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.181538 (E_RNA)
where:
Base-Base interactions energy: -52.270
where: short stacking energy: -46.524
Base-Backbone interact. energy: 4.582
local terms energy: -96.492887
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: 3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -518.995199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.995199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.995199 (E_RNA)
where:
Base-Base interactions energy: -361.432
where: short stacking energy: -142.041
Base-Backbone interact. energy: -0.616
local terms energy: -156.947608
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -46.527
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: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -523.426100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.426100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.426100 (E_RNA)
where:
Base-Base interactions energy: -357.139
where: short stacking energy: -145.684
Base-Backbone interact. energy: -1.106
local terms energy: -165.181445
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -44.816
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: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -495.798903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.798903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.798903 (E_RNA)
where:
Base-Base interactions energy: -344.977
where: short stacking energy: -148.757
Base-Backbone interact. energy: -0.409
local terms energy: -150.412993
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -38.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -495.948115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.948115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.948115 (E_RNA)
where:
Base-Base interactions energy: -337.639
where: short stacking energy: -139.107
Base-Backbone interact. energy: -0.257
local terms energy: -158.052100
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -43.828
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: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -431.408594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.408594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.408594 (E_RNA)
where:
Base-Base interactions energy: -297.186
where: short stacking energy: -138.597
Base-Backbone interact. energy: -0.305
local terms energy: -133.918041
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -43.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -392.095859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.095859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.095859 (E_RNA)
where:
Base-Base interactions energy: -259.789
where: short stacking energy: -107.936
Base-Backbone interact. energy: -1.185
local terms energy: -131.121627
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -29.100
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -28.501
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: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -365.898431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.898431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.898431 (E_RNA)
where:
Base-Base interactions energy: -223.896
where: short stacking energy: -108.106
Base-Backbone interact. energy: -0.081
local terms energy: -141.920451
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -32.703
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -36.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -163.328098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.328098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.328098 (E_RNA)
where:
Base-Base interactions energy: -65.482
where: short stacking energy: -61.160
Base-Backbone interact. energy: 6.001
local terms energy: -103.847035
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -153.098726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.098726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.098726 (E_RNA)
where:
Base-Base interactions energy: -56.704
where: short stacking energy: -55.802
Base-Backbone interact. energy: -0.792
local terms energy: -95.602204
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -140.892524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.892524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.892524 (E_RNA)
where:
Base-Base interactions energy: -62.027
where: short stacking energy: -31.107
Base-Backbone interact. energy: 0.339
local terms energy: -79.204801
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -17.774
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: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -534.958917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.958917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.958917 (E_RNA)
where:
Base-Base interactions energy: -371.519
where: short stacking energy: -151.592
Base-Backbone interact. energy: -2.474
local terms energy: -160.966070
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -44.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -520.902064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.902064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.902064 (E_RNA)
where:
Base-Base interactions energy: -356.815
where: short stacking energy: -144.474
Base-Backbone interact. energy: -0.362
local terms energy: -163.725006
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -44.081
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: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -503.078921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.078921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.078921 (E_RNA)
where:
Base-Base interactions energy: -354.311
where: short stacking energy: -143.359
Base-Backbone interact. energy: -0.378
local terms energy: -148.389299
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -41.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -505.799880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.799880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.799880 (E_RNA)
where:
Base-Base interactions energy: -357.540
where: short stacking energy: -151.455
Base-Backbone interact. energy: -0.185
local terms energy: -148.074699
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -44.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -441.954591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.954591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.954591 (E_RNA)
where:
Base-Base interactions energy: -290.894
where: short stacking energy: -129.644
Base-Backbone interact. energy: 0.459
local terms energy: -151.519730
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -42.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -371.967209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.967209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.967209 (E_RNA)
where:
Base-Base interactions energy: -242.547
where: short stacking energy: -110.786
Base-Backbone interact. energy: 1.362
local terms energy: -130.782373
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -16.215
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: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -379.434291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.434291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.434291 (E_RNA)
where:
Base-Base interactions energy: -249.485
where: short stacking energy: -105.932
Base-Backbone interact. energy: -2.135
local terms energy: -127.814453
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -25.188
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: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -197.392367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.392367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.392367 (E_RNA)
where:
Base-Base interactions energy: -91.431
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.809
local terms energy: -105.152640
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -168.725428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725428 (E_RNA)
where:
Base-Base interactions energy: -65.822
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.831
local terms energy: -102.072774
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -3.444
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: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -134.367136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.367136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.367136 (E_RNA)
where:
Base-Base interactions energy: -44.265
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.400
local terms energy: -89.701717
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: 4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -532.082433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.082433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.082433 (E_RNA)
where:
Base-Base interactions energy: -368.164
where: short stacking energy: -144.730
Base-Backbone interact. energy: -1.032
local terms energy: -162.886393
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -31.911
flat angles C4'-P-C4' energy: -39.235
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -518.822182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.822182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.822182 (E_RNA)
where:
Base-Base interactions energy: -351.534
where: short stacking energy: -139.874
Base-Backbone interact. energy: -0.197
local terms energy: -167.090873
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -43.646
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: 460
Temperature: 1.000000
Total energy: -502.576521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.576521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.576521 (E_RNA)
where:
Base-Base interactions energy: -343.413
where: short stacking energy: -137.286
Base-Backbone interact. energy: -0.291
local terms energy: -158.873046
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -39.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -490.760695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.760695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.760695 (E_RNA)
where:
Base-Base interactions energy: -350.215
where: short stacking energy: -139.968
Base-Backbone interact. energy: -0.153
local terms energy: -140.393626
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -437.508127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.508127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.508127 (E_RNA)
where:
Base-Base interactions energy: -279.104
where: short stacking energy: -114.834
Base-Backbone interact. energy: -0.087
local terms energy: -158.317027
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -39.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -368.459508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.459508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.459508 (E_RNA)
where:
Base-Base interactions energy: -242.373
where: short stacking energy: -109.886
Base-Backbone interact. energy: -0.329
local terms energy: -125.757481
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -353.964831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.964831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.964831 (E_RNA)
where:
Base-Base interactions energy: -220.611
where: short stacking energy: -88.386
Base-Backbone interact. energy: -0.375
local terms energy: -132.978104
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -30.066
flat angles P-C4'-P energy: -18.800
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -152.477458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.477458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.477458 (E_RNA)
where:
Base-Base interactions energy: -57.102
where: short stacking energy: -37.984
Base-Backbone interact. energy: -0.499
local terms energy: -94.876188
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -15.954
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: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -146.502546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.502546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.502546 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -42.720
Base-Backbone interact. energy: 1.336
local terms energy: -95.625960
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -138.598089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.598089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.598089 (E_RNA)
where:
Base-Base interactions energy: -45.460
where: short stacking energy: -37.704
Base-Backbone interact. energy: 0.299
local terms energy: -93.436821
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: 0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -528.051638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.051638 (E_RNA)
where:
Base-Base interactions energy: -368.785
where: short stacking energy: -153.159
Base-Backbone interact. energy: -0.544
local terms energy: -158.722104
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -42.697
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: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -518.166280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.166280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.166280 (E_RNA)
where:
Base-Base interactions energy: -363.409
where: short stacking energy: -146.596
Base-Backbone interact. energy: -0.691
local terms energy: -154.066311
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -39.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -496.578512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.578512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.578512 (E_RNA)
where:
Base-Base interactions energy: -348.453
where: short stacking energy: -148.295
Base-Backbone interact. energy: -0.236
local terms energy: -147.889588
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -27.205
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -511.085707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.085707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.085707 (E_RNA)
where:
Base-Base interactions energy: -366.005
where: short stacking energy: -138.934
Base-Backbone interact. energy: 0.536
local terms energy: -145.617254
where:
bonds (distance) C4'-P energy: -28.755
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -42.613
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: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -441.340242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.340242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.340242 (E_RNA)
where:
Base-Base interactions energy: -293.187
where: short stacking energy: -125.012
Base-Backbone interact. energy: -0.907
local terms energy: -147.245955
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -38.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -376.014048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.014048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.014048 (E_RNA)
where:
Base-Base interactions energy: -253.394
where: short stacking energy: -113.871
Base-Backbone interact. energy: -1.389
local terms energy: -121.230805
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -29.525
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: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -341.517536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.517536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.517536 (E_RNA)
where:
Base-Base interactions energy: -205.995
where: short stacking energy: -89.336
Base-Backbone interact. energy: -0.101
local terms energy: -135.421525
where:
bonds (distance) C4'-P energy: -32.922
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -21.600
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -162.873881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.873881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.873881 (E_RNA)
where:
Base-Base interactions energy: -61.479
where: short stacking energy: -30.755
Base-Backbone interact. energy: 1.706
local terms energy: -103.101168
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: 4.921
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: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -160.664590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.664590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.664590 (E_RNA)
where:
Base-Base interactions energy: -67.656
where: short stacking energy: -40.046
Base-Backbone interact. energy: -0.233
local terms energy: -92.775766
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -158.194126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.194126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.194126 (E_RNA)
where:
Base-Base interactions energy: -52.868
where: short stacking energy: -47.246
Base-Backbone interact. energy: -1.158
local terms energy: -104.168597
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -27.800
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -537.788785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.788785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.788785 (E_RNA)
where:
Base-Base interactions energy: -366.189
where: short stacking energy: -148.483
Base-Backbone interact. energy: 0.234
local terms energy: -171.834012
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -525.624017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.624017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.624017 (E_RNA)
where:
Base-Base interactions energy: -358.668
where: short stacking energy: -153.195
Base-Backbone interact. energy: -2.853
local terms energy: -164.102412
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -497.777002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.777002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.777002 (E_RNA)
where:
Base-Base interactions energy: -337.099
where: short stacking energy: -139.694
Base-Backbone interact. energy: -0.113
local terms energy: -160.564655
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -36.306
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: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -502.377634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.377634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.377634 (E_RNA)
where:
Base-Base interactions energy: -335.183
where: short stacking energy: -144.768
Base-Backbone interact. energy: -0.088
local terms energy: -167.106721
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -48.583
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -429.597052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.597052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.597052 (E_RNA)
where:
Base-Base interactions energy: -296.659
where: short stacking energy: -126.952
Base-Backbone interact. energy: 1.598
local terms energy: -134.535984
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -40.661
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: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -379.499652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.499652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.499652 (E_RNA)
where:
Base-Base interactions energy: -245.764
where: short stacking energy: -112.416
Base-Backbone interact. energy: -1.130
local terms energy: -132.606178
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -315.494477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.494477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.494477 (E_RNA)
where:
Base-Base interactions energy: -198.227
where: short stacking energy: -87.117
Base-Backbone interact. energy: -0.379
local terms energy: -116.888857
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -172.686200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.686200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.686200 (E_RNA)
where:
Base-Base interactions energy: -73.102
where: short stacking energy: -52.626
Base-Backbone interact. energy: -0.035
local terms energy: -99.549937
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -14.260
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -214.506266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.506266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.506266 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.288
local terms energy: -109.585413
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -141.396172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.396172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.396172 (E_RNA)
where:
Base-Base interactions energy: -61.795
where: short stacking energy: -37.331
Base-Backbone interact. energy: -1.699
local terms energy: -77.902206
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: 7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -535.656388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.656388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.656388 (E_RNA)
where:
Base-Base interactions energy: -370.582
where: short stacking energy: -147.914
Base-Backbone interact. energy: -0.102
local terms energy: -164.972513
where:
bonds (distance) C4'-P energy: -29.321
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -38.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -516.979699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.979699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.979699 (E_RNA)
where:
Base-Base interactions energy: -354.275
where: short stacking energy: -149.002
Base-Backbone interact. energy: 0.631
local terms energy: -163.335592
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -49.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -504.282014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.282014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.282014 (E_RNA)
where:
Base-Base interactions energy: -341.957
where: short stacking energy: -136.620
Base-Backbone interact. energy: -0.107
local terms energy: -162.217464
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -43.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -443.854917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.854917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.854917 (E_RNA)
where:
Base-Base interactions energy: -294.815
where: short stacking energy: -120.844
Base-Backbone interact. energy: -1.132
local terms energy: -147.908023
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -37.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -483.061641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.061641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.061641 (E_RNA)
where:
Base-Base interactions energy: -331.480
where: short stacking energy: -135.216
Base-Backbone interact. energy: -0.602
local terms energy: -150.980576
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -42.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -398.340585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.340585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.340585 (E_RNA)
where:
Base-Base interactions energy: -273.649
where: short stacking energy: -102.657
Base-Backbone interact. energy: -0.318
local terms energy: -124.373084
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -377.488366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.488366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.488366 (E_RNA)
where:
Base-Base interactions energy: -247.384
where: short stacking energy: -118.777
Base-Backbone interact. energy: -0.382
local terms energy: -129.722406
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -251.641736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.641736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.641736 (E_RNA)
where:
Base-Base interactions energy: -156.557
where: short stacking energy: -74.179
Base-Backbone interact. energy: -0.480
local terms energy: -94.603898
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -160.636523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.636523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.636523 (E_RNA)
where:
Base-Base interactions energy: -64.761
where: short stacking energy: -37.818
Base-Backbone interact. energy: -0.913
local terms energy: -94.962102
where:
bonds (distance) C4'-P energy: -29.076
bonds (distance) P-C4' energy: -27.361
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -170.093990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.093990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.093990 (E_RNA)
where:
Base-Base interactions energy: -71.511
where: short stacking energy: -41.672
Base-Backbone interact. energy: -1.948
local terms energy: -96.634104
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -533.613244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.613244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.613244 (E_RNA)
where:
Base-Base interactions energy: -372.084
where: short stacking energy: -156.352
Base-Backbone interact. energy: -0.120
local terms energy: -161.409674
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -43.400
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: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -520.836543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.836543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.836543 (E_RNA)
where:
Base-Base interactions energy: -352.119
where: short stacking energy: -150.814
Base-Backbone interact. energy: -0.463
local terms energy: -168.254963
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -31.036
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -46.018
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: 464
Temperature: 1.000000
Total energy: -500.884127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.884127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.884127 (E_RNA)
where:
Base-Base interactions energy: -338.742
where: short stacking energy: -148.811
Base-Backbone interact. energy: -0.325
local terms energy: -161.817674
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -45.631
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: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -447.288390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.288390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.288390 (E_RNA)
where:
Base-Base interactions energy: -298.031
where: short stacking energy: -134.140
Base-Backbone interact. energy: -0.024
local terms energy: -149.232920
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -43.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -484.682761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.682761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.682761 (E_RNA)
where:
Base-Base interactions energy: -331.964
where: short stacking energy: -137.232
Base-Backbone interact. energy: -0.031
local terms energy: -152.687957
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -395.015643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.015643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.015643 (E_RNA)
where:
Base-Base interactions energy: -256.351
where: short stacking energy: -113.608
Base-Backbone interact. energy: -0.340
local terms energy: -138.325136
where:
bonds (distance) C4'-P energy: -34.535
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -29.538
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -360.062925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.062925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.062925 (E_RNA)
where:
Base-Base interactions energy: -212.191
where: short stacking energy: -92.138
Base-Backbone interact. energy: -1.560
local terms energy: -146.312007
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -36.106
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: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -249.285822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.285822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.285822 (E_RNA)
where:
Base-Base interactions energy: -143.245
where: short stacking energy: -83.866
Base-Backbone interact. energy: -0.547
local terms energy: -105.493739
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -24.190
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -143.145112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.145112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.145112 (E_RNA)
where:
Base-Base interactions energy: -52.513
where: short stacking energy: -39.993
Base-Backbone interact. energy: -0.187
local terms energy: -90.444813
where:
bonds (distance) C4'-P energy: -35.228
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -10.786
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: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -134.636081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.636081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.636081 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -37.522
Base-Backbone interact. energy: 0.196
local terms energy: -93.693040
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -531.517946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.517946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.517946 (E_RNA)
where:
Base-Base interactions energy: -362.156
where: short stacking energy: -151.223
Base-Backbone interact. energy: -0.491
local terms energy: -168.871137
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -41.877
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: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -513.169120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.169120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.169120 (E_RNA)
where:
Base-Base interactions energy: -350.879
where: short stacking energy: -149.241
Base-Backbone interact. energy: -0.820
local terms energy: -161.470109
where:
bonds (distance) C4'-P energy: -25.262
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -49.809
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -512.854587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.854587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.854587 (E_RNA)
where:
Base-Base interactions energy: -354.060
where: short stacking energy: -151.758
Base-Backbone interact. energy: -2.150
local terms energy: -156.645030
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -44.088
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -488.260643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.260643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.260643 (E_RNA)
where:
Base-Base interactions energy: -345.191
where: short stacking energy: -132.586
Base-Backbone interact. energy: -1.395
local terms energy: -141.675012
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -423.835908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.835908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.835908 (E_RNA)
where:
Base-Base interactions energy: -277.457
where: short stacking energy: -130.313
Base-Backbone interact. energy: 0.275
local terms energy: -146.654049
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -42.753
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: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -410.707916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.707916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.707916 (E_RNA)
where:
Base-Base interactions energy: -282.718
where: short stacking energy: -132.951
Base-Backbone interact. energy: -0.041
local terms energy: -127.949071
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -28.856
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -40.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -372.220326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.220326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.220326 (E_RNA)
where:
Base-Base interactions energy: -238.261
where: short stacking energy: -114.691
Base-Backbone interact. energy: -0.146
local terms energy: -133.813765
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -17.794
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: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -244.895529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.895529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.895529 (E_RNA)
where:
Base-Base interactions energy: -131.296
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.775
local terms energy: -112.824671
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -34.247
flat angles P-C4'-P energy: -13.047
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: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -151.699242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.699242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.699242 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -41.719
Base-Backbone interact. energy: -1.320
local terms energy: -99.017812
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -18.649
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: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -135.135090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.135090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.135090 (E_RNA)
where:
Base-Base interactions energy: -52.245
where: short stacking energy: -47.012
Base-Backbone interact. energy: -0.369
local terms energy: -82.521176
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -15.367
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: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -532.876489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.876489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.876489 (E_RNA)
where:
Base-Base interactions energy: -355.723
where: short stacking energy: -144.149
Base-Backbone interact. energy: -0.108
local terms energy: -177.044994
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -48.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -517.819775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.819775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.819775 (E_RNA)
where:
Base-Base interactions energy: -359.225
where: short stacking energy: -150.299
Base-Backbone interact. energy: -0.212
local terms energy: -158.382490
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -45.309
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: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -508.511899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.511899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.511899 (E_RNA)
where:
Base-Base interactions energy: -347.694
where: short stacking energy: -140.585
Base-Backbone interact. energy: -0.738
local terms energy: -160.079513
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -40.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -498.235710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.235710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.235710 (E_RNA)
where:
Base-Base interactions energy: -345.561
where: short stacking energy: -141.661
Base-Backbone interact. energy: -0.028
local terms energy: -152.646464
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -39.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -435.749302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.749302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.749302 (E_RNA)
where:
Base-Base interactions energy: -295.478
where: short stacking energy: -132.622
Base-Backbone interact. energy: -0.236
local terms energy: -140.034562
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -35.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -422.466665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.466665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.466665 (E_RNA)
where:
Base-Base interactions energy: -277.792
where: short stacking energy: -119.125
Base-Backbone interact. energy: -0.762
local terms energy: -143.912949
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -36.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -372.768713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.768713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.768713 (E_RNA)
where:
Base-Base interactions energy: -237.039
where: short stacking energy: -109.991
Base-Backbone interact. energy: -0.087
local terms energy: -135.642586
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -17.361
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: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -253.972416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.972416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.972416 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.959
local terms energy: -104.665560
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -15.175
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: 466
Temperature: 1.300000
Total energy: -176.242263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.242263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.242263 (E_RNA)
where:
Base-Base interactions energy: -87.656
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.224
local terms energy: -88.362508
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -0.861
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: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -146.884746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884746 (E_RNA)
where:
Base-Base interactions energy: -54.028
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.511
local terms energy: -92.346278
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -28.938
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -9.086
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -525.877953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.877953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.877953 (E_RNA)
where:
Base-Base interactions energy: -366.311
where: short stacking energy: -146.722
Base-Backbone interact. energy: 0.019
local terms energy: -159.586511
where:
bonds (distance) C4'-P energy: -30.245
bonds (distance) P-C4' energy: -32.185
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -41.138
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: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -526.705196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.705196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.705196 (E_RNA)
where:
Base-Base interactions energy: -353.546
where: short stacking energy: -147.822
Base-Backbone interact. energy: -0.692
local terms energy: -172.467391
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -47.493
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: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -520.863276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.863276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.863276 (E_RNA)
where:
Base-Base interactions energy: -355.820
where: short stacking energy: -152.926
Base-Backbone interact. energy: -0.049
local terms energy: -164.994711
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -46.012
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: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -486.893437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.893437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.893437 (E_RNA)
where:
Base-Base interactions energy: -341.428
where: short stacking energy: -143.036
Base-Backbone interact. energy: -0.260
local terms energy: -145.204837
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -41.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -427.445999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.445999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.445999 (E_RNA)
where:
Base-Base interactions energy: -295.764
where: short stacking energy: -117.586
Base-Backbone interact. energy: -1.236
local terms energy: -130.446057
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -31.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -386.395569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.395569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.395569 (E_RNA)
where:
Base-Base interactions energy: -259.100
where: short stacking energy: -125.623
Base-Backbone interact. energy: -0.108
local terms energy: -127.187724
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -38.406
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -414.185043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.185043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.185043 (E_RNA)
where:
Base-Base interactions energy: -278.417
where: short stacking energy: -114.359
Base-Backbone interact. energy: -0.037
local terms energy: -135.731165
where:
bonds (distance) C4'-P energy: -28.121
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -37.431
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: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -183.594059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594059 (E_RNA)
where:
Base-Base interactions energy: -89.988
where: short stacking energy: -45.897
Base-Backbone interact. energy: 0.327
local terms energy: -93.932879
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: 4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -236.788469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.788469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.788469 (E_RNA)
where:
Base-Base interactions energy: -132.923
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.429
local terms energy: -103.436234
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -143.422483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.422483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.422483 (E_RNA)
where:
Base-Base interactions energy: -70.856
where: short stacking energy: -38.726
Base-Backbone interact. energy: 2.674
local terms energy: -75.240512
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: 0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -529.993332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.993332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.993332 (E_RNA)
where:
Base-Base interactions energy: -371.415
where: short stacking energy: -147.383
Base-Backbone interact. energy: -0.031
local terms energy: -158.547882
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -31.099
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -43.070
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: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -525.741564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.741564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.741564 (E_RNA)
where:
Base-Base interactions energy: -359.555
where: short stacking energy: -148.204
Base-Backbone interact. energy: -0.219
local terms energy: -165.967458
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -502.931331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.931331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.931331 (E_RNA)
where:
Base-Base interactions energy: -336.103
where: short stacking energy: -145.054
Base-Backbone interact. energy: 1.384
local terms energy: -168.212588
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -27.064
tors. eta vs tors. theta energy: -44.294
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: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -500.750193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.750193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.750193 (E_RNA)
where:
Base-Base interactions energy: -348.189
where: short stacking energy: -143.293
Base-Backbone interact. energy: -0.154
local terms energy: -152.407577
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -33.408
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -416.161527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.161527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.161527 (E_RNA)
where:
Base-Base interactions energy: -279.228
where: short stacking energy: -117.343
Base-Backbone interact. energy: -0.623
local terms energy: -136.310922
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -29.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -400.444192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.444192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.444192 (E_RNA)
where:
Base-Base interactions energy: -257.621
where: short stacking energy: -130.768
Base-Backbone interact. energy: -0.661
local terms energy: -142.162598
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -406.022779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.022779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.022779 (E_RNA)
where:
Base-Base interactions energy: -269.349
where: short stacking energy: -114.303
Base-Backbone interact. energy: -0.328
local terms energy: -136.345837
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -37.565
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: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -161.809944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.809944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.809944 (E_RNA)
where:
Base-Base interactions energy: -71.304
where: short stacking energy: -47.439
Base-Backbone interact. energy: 1.521
local terms energy: -92.026731
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -2.660
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: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -150.440070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.440070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.440070 (E_RNA)
where:
Base-Base interactions energy: -45.712
where: short stacking energy: -34.584
Base-Backbone interact. energy: -0.262
local terms energy: -104.466218
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -221.259186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.259186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.259186 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.441
local terms energy: -103.778047
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -524.758646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.758646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.758646 (E_RNA)
where:
Base-Base interactions energy: -362.210
where: short stacking energy: -146.401
Base-Backbone interact. energy: -0.239
local terms energy: -162.309639
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -27.510
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -49.661
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -514.457697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.457697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.457697 (E_RNA)
where:
Base-Base interactions energy: -355.721
where: short stacking energy: -149.476
Base-Backbone interact. energy: 0.693
local terms energy: -159.429896
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -31.722
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -46.486
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: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -502.003327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.003327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.003327 (E_RNA)
where:
Base-Base interactions energy: -350.185
where: short stacking energy: -150.235
Base-Backbone interact. energy: -0.687
local terms energy: -151.130669
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -37.309
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -502.535085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.535085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.535085 (E_RNA)
where:
Base-Base interactions energy: -340.995
where: short stacking energy: -138.868
Base-Backbone interact. energy: -0.060
local terms energy: -161.480656
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -32.573
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -42.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -409.529970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.529970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.529970 (E_RNA)
where:
Base-Base interactions energy: -275.400
where: short stacking energy: -118.450
Base-Backbone interact. energy: -0.805
local terms energy: -133.324990
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -34.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -396.073293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.073293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.073293 (E_RNA)
where:
Base-Base interactions energy: -267.635
where: short stacking energy: -97.716
Base-Backbone interact. energy: -0.221
local terms energy: -128.217256
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -14.419
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: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -374.252261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.252261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.252261 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -122.420
Base-Backbone interact. energy: -0.406
local terms energy: -124.828357
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -163.284848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.284848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.284848 (E_RNA)
where:
Base-Base interactions energy: -61.597
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.591
local terms energy: -101.096675
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -7.836
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: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -138.416708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.416708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.416708 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.021
local terms energy: -87.648363
where:
bonds (distance) C4'-P energy: -27.960
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: 0.442
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: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -199.164593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.164593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.164593 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.298
local terms energy: -84.166730
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -519.444593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.444593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.444593 (E_RNA)
where:
Base-Base interactions energy: -346.051
where: short stacking energy: -153.324
Base-Backbone interact. energy: -0.100
local terms energy: -173.293451
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -46.119
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -529.967907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.967907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.967907 (E_RNA)
where:
Base-Base interactions energy: -357.736
where: short stacking energy: -155.755
Base-Backbone interact. energy: -0.306
local terms energy: -171.925218
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -45.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -481.803111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.803111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.803111 (E_RNA)
where:
Base-Base interactions energy: -330.827
where: short stacking energy: -144.705
Base-Backbone interact. energy: -0.460
local terms energy: -150.516999
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -35.012
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -41.192
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -484.780987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.780987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.780987 (E_RNA)
where:
Base-Base interactions energy: -326.725
where: short stacking energy: -133.488
Base-Backbone interact. energy: -1.335
local terms energy: -156.720680
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -41.269
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: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -444.535650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.535650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.535650 (E_RNA)
where:
Base-Base interactions energy: -297.444
where: short stacking energy: -142.655
Base-Backbone interact. energy: -0.020
local terms energy: -147.071831
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -45.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -419.794700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.794700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.794700 (E_RNA)
where:
Base-Base interactions energy: -273.825
where: short stacking energy: -113.587
Base-Backbone interact. energy: -1.222
local terms energy: -144.747503
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -31.716
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -35.590
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: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -371.125467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.125467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.125467 (E_RNA)
where:
Base-Base interactions energy: -243.975
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.164
local terms energy: -126.985984
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -33.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -152.298014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.298014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.298014 (E_RNA)
where:
Base-Base interactions energy: -71.461
where: short stacking energy: -39.972
Base-Backbone interact. energy: -0.942
local terms energy: -79.894590
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: 3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -164.325429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.325429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.325429 (E_RNA)
where:
Base-Base interactions energy: -65.652
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.771
local terms energy: -97.902909
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -127.486287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.486287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.486287 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -40.117
Base-Backbone interact. energy: -1.957
local terms energy: -85.612676
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -527.459151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.459151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.459151 (E_RNA)
where:
Base-Base interactions energy: -372.867
where: short stacking energy: -162.552
Base-Backbone interact. energy: -1.766
local terms energy: -152.826317
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -45.204
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -523.200647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.200647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.200647 (E_RNA)
where:
Base-Base interactions energy: -372.084
where: short stacking energy: -155.434
Base-Backbone interact. energy: 0.781
local terms energy: -151.897355
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -45.212
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: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -503.332538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.332538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.332538 (E_RNA)
where:
Base-Base interactions energy: -339.175
where: short stacking energy: -130.587
Base-Backbone interact. energy: -0.620
local terms energy: -163.537628
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -39.852
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: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -457.001359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.001359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.001359 (E_RNA)
where:
Base-Base interactions energy: -314.695
where: short stacking energy: -135.038
Base-Backbone interact. energy: -0.469
local terms energy: -141.837481
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -36.133
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -38.552
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: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -484.661487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.661487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.661487 (E_RNA)
where:
Base-Base interactions energy: -337.972
where: short stacking energy: -138.571
Base-Backbone interact. energy: -0.620
local terms energy: -146.070263
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -31.651
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -385.483066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.483066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.483066 (E_RNA)
where:
Base-Base interactions energy: -251.401
where: short stacking energy: -112.297
Base-Backbone interact. energy: -0.234
local terms energy: -133.847838
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -19.799
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: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -396.558165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.558165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.558165 (E_RNA)
where:
Base-Base interactions energy: -251.470
where: short stacking energy: -109.217
Base-Backbone interact. energy: -0.308
local terms energy: -144.780630
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -34.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -167.653229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.653229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.653229 (E_RNA)
where:
Base-Base interactions energy: -56.348
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.758
local terms energy: -110.547591
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -152.910938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.910938 (E_RNA)
where:
Base-Base interactions energy: -64.870
where: short stacking energy: -62.380
Base-Backbone interact. energy: 0.115
local terms energy: -88.155378
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -143.822194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.822194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.822194 (E_RNA)
where:
Base-Base interactions energy: -51.369
where: short stacking energy: -28.694
Base-Backbone interact. energy: -2.804
local terms energy: -89.649047
where:
bonds (distance) C4'-P energy: -29.612
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: 6.424
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: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -541.341060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.341060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.341060 (E_RNA)
where:
Base-Base interactions energy: -370.595
where: short stacking energy: -148.895
Base-Backbone interact. energy: -0.558
local terms energy: -170.188108
where:
bonds (distance) C4'-P energy: -37.838
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -47.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -529.672879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.672879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.672879 (E_RNA)
where:
Base-Base interactions energy: -376.610
where: short stacking energy: -152.322
Base-Backbone interact. energy: -1.285
local terms energy: -151.778204
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -45.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -515.264897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.264897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.264897 (E_RNA)
where:
Base-Base interactions energy: -356.081
where: short stacking energy: -146.488
Base-Backbone interact. energy: -0.111
local terms energy: -159.072342
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -43.347
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -440.659712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.659712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.659712 (E_RNA)
where:
Base-Base interactions energy: -287.124
where: short stacking energy: -126.798
Base-Backbone interact. energy: -0.497
local terms energy: -153.038495
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -40.976
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: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -478.286139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.286139 (E_RNA)
where:
Base-Base interactions energy: -324.809
where: short stacking energy: -136.239
Base-Backbone interact. energy: 0.189
local terms energy: -153.666099
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -42.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -397.029811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.029811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.029811 (E_RNA)
where:
Base-Base interactions energy: -250.334
where: short stacking energy: -114.880
Base-Backbone interact. energy: -0.604
local terms energy: -146.091820
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -17.910
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -413.003219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.003219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.003219 (E_RNA)
where:
Base-Base interactions energy: -278.907
where: short stacking energy: -117.552
Base-Backbone interact. energy: -2.084
local terms energy: -132.012514
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -9.008
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: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -161.624189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.624189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.624189 (E_RNA)
where:
Base-Base interactions energy: -54.797
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.000
local terms energy: -106.827194
where:
bonds (distance) C4'-P energy: -24.566
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -149.619332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.619332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.619332 (E_RNA)
where:
Base-Base interactions energy: -61.278
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.877
local terms energy: -87.464146
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: 5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -149.261524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.261524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.261524 (E_RNA)
where:
Base-Base interactions energy: -57.584
where: short stacking energy: -46.784
Base-Backbone interact. energy: 0.239
local terms energy: -91.916399
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -532.839855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.839855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.839855 (E_RNA)
where:
Base-Base interactions energy: -366.578
where: short stacking energy: -145.979
Base-Backbone interact. energy: -0.472
local terms energy: -165.789530
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -38.447
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -42.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -521.865282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.865282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.865282 (E_RNA)
where:
Base-Base interactions energy: -361.583
where: short stacking energy: -153.566
Base-Backbone interact. energy: 0.033
local terms energy: -160.315084
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -44.986
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: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -528.198780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.198780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.198780 (E_RNA)
where:
Base-Base interactions energy: -363.576
where: short stacking energy: -156.164
Base-Backbone interact. energy: -0.139
local terms energy: -164.483315
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -51.105
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -471.815647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.815647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.815647 (E_RNA)
where:
Base-Base interactions energy: -315.068
where: short stacking energy: -129.449
Base-Backbone interact. energy: -0.761
local terms energy: -155.986445
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -40.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -425.111116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.111116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.111116 (E_RNA)
where:
Base-Base interactions energy: -275.270
where: short stacking energy: -126.255
Base-Backbone interact. energy: -0.415
local terms energy: -149.426352
where:
bonds (distance) C4'-P energy: -30.805
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -40.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -405.020976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.020976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.020976 (E_RNA)
where:
Base-Base interactions energy: -284.995
where: short stacking energy: -110.837
Base-Backbone interact. energy: 0.361
local terms energy: -120.387548
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -377.151133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.151133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.151133 (E_RNA)
where:
Base-Base interactions energy: -248.602
where: short stacking energy: -113.929
Base-Backbone interact. energy: -0.521
local terms energy: -128.028134
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -37.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -155.275785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.275785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.275785 (E_RNA)
where:
Base-Base interactions energy: -65.602
where: short stacking energy: -43.569
Base-Backbone interact. energy: 1.812
local terms energy: -91.486164
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -6.772
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: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -156.338771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.338771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.338771 (E_RNA)
where:
Base-Base interactions energy: -65.069
where: short stacking energy: -55.297
Base-Backbone interact. energy: -1.027
local terms energy: -90.242164
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -18.550
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: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -148.698524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.698524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.698524 (E_RNA)
where:
Base-Base interactions energy: -53.343
where: short stacking energy: -31.187
Base-Backbone interact. energy: 1.144
local terms energy: -96.499418
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: 3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -542.314342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.314342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.314342 (E_RNA)
where:
Base-Base interactions energy: -376.588
where: short stacking energy: -153.227
Base-Backbone interact. energy: 0.201
local terms energy: -165.927212
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -50.505
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: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -517.729965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.729965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.729965 (E_RNA)
where:
Base-Base interactions energy: -363.239
where: short stacking energy: -154.732
Base-Backbone interact. energy: -0.020
local terms energy: -154.471059
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -490.251029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.251029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.251029 (E_RNA)
where:
Base-Base interactions energy: -326.577
where: short stacking energy: -138.329
Base-Backbone interact. energy: -0.902
local terms energy: -162.772261
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -36.655
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -43.170
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -490.814121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.814121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.814121 (E_RNA)
where:
Base-Base interactions energy: -337.391
where: short stacking energy: -132.478
Base-Backbone interact. energy: -0.109
local terms energy: -153.314603
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -439.191959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.191959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.191959 (E_RNA)
where:
Base-Base interactions energy: -309.640
where: short stacking energy: -122.537
Base-Backbone interact. energy: 0.287
local terms energy: -129.838911
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -36.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -418.803225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.803225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.803225 (E_RNA)
where:
Base-Base interactions energy: -272.154
where: short stacking energy: -112.344
Base-Backbone interact. energy: -0.472
local terms energy: -146.178057
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -38.628
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: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -382.872968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.872968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.872968 (E_RNA)
where:
Base-Base interactions energy: -239.395
where: short stacking energy: -105.079
Base-Backbone interact. energy: 0.370
local terms energy: -143.848236
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -28.140
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: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -154.390813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.390813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.390813 (E_RNA)
where:
Base-Base interactions energy: -58.295
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.199
local terms energy: -95.896643
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -175.751611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751611 (E_RNA)
where:
Base-Base interactions energy: -84.014
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.565
local terms energy: -91.172272
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -19.916
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: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -136.475108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.475108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.475108 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -28.747
Base-Backbone interact. energy: -0.087
local terms energy: -93.755734
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -533.423253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.423253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.423253 (E_RNA)
where:
Base-Base interactions energy: -367.822
where: short stacking energy: -149.295
Base-Backbone interact. energy: -1.077
local terms energy: -164.525058
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -49.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -520.958412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.958412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.958412 (E_RNA)
where:
Base-Base interactions energy: -358.521
where: short stacking energy: -162.304
Base-Backbone interact. energy: -0.024
local terms energy: -162.413100
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -46.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -493.365535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.365535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.365535 (E_RNA)
where:
Base-Base interactions energy: -337.012
where: short stacking energy: -143.080
Base-Backbone interact. energy: -0.371
local terms energy: -155.982938
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -46.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -502.031593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.031593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.031593 (E_RNA)
where:
Base-Base interactions energy: -341.932
where: short stacking energy: -151.263
Base-Backbone interact. energy: -0.095
local terms energy: -160.003657
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -454.540186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.540186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.540186 (E_RNA)
where:
Base-Base interactions energy: -296.310
where: short stacking energy: -138.819
Base-Backbone interact. energy: -0.464
local terms energy: -157.767007
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -45.613
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: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -396.553170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.553170 (E_RNA)
where:
Base-Base interactions energy: -249.738
where: short stacking energy: -121.211
Base-Backbone interact. energy: -0.118
local terms energy: -146.697724
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -31.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -408.261503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.261503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.261503 (E_RNA)
where:
Base-Base interactions energy: -289.724
where: short stacking energy: -113.508
Base-Backbone interact. energy: 4.042
local terms energy: -122.579542
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -35.550
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: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -157.535554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.535554 (E_RNA)
where:
Base-Base interactions energy: -47.927
where: short stacking energy: -39.556
Base-Backbone interact. energy: -0.961
local terms energy: -108.648118
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -2.962
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: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -162.425599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.425599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.425599 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.524
local terms energy: -100.637496
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -134.763288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.763288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.763288 (E_RNA)
where:
Base-Base interactions energy: -43.133
where: short stacking energy: -34.842
Base-Backbone interact. energy: -0.077
local terms energy: -91.553020
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -33.127
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -526.931229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.931229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.931229 (E_RNA)
where:
Base-Base interactions energy: -356.874
where: short stacking energy: -146.878
Base-Backbone interact. energy: -0.854
local terms energy: -169.202840
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -37.324
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -43.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -508.154230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.154230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.154230 (E_RNA)
where:
Base-Base interactions energy: -357.210
where: short stacking energy: -150.451
Base-Backbone interact. energy: 3.553
local terms energy: -154.496929
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -43.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -476.574046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.574046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.574046 (E_RNA)
where:
Base-Base interactions energy: -310.380
where: short stacking energy: -133.945
Base-Backbone interact. energy: -0.950
local terms energy: -165.244156
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -46.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -514.240699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.240699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.240699 (E_RNA)
where:
Base-Base interactions energy: -363.566
where: short stacking energy: -144.887
Base-Backbone interact. energy: -0.234
local terms energy: -150.440823
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -458.733555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.733555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.733555 (E_RNA)
where:
Base-Base interactions energy: -300.498
where: short stacking energy: -137.219
Base-Backbone interact. energy: -0.116
local terms energy: -158.120298
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -48.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -407.391307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.391307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.391307 (E_RNA)
where:
Base-Base interactions energy: -265.152
where: short stacking energy: -118.914
Base-Backbone interact. energy: -0.192
local terms energy: -142.047014
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -38.051
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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -434.932718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.932718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.932718 (E_RNA)
where:
Base-Base interactions energy: -304.979
where: short stacking energy: -129.904
Base-Backbone interact. energy: -0.556
local terms energy: -129.397650
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -202.551584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551584 (E_RNA)
where:
Base-Base interactions energy: -93.636
where: short stacking energy: -65.689
Base-Backbone interact. energy: -1.220
local terms energy: -107.696208
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -34.408
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -150.101041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.101041 (E_RNA)
where:
Base-Base interactions energy: -54.788
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.752
local terms energy: -94.561535
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -3.841
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -143.811747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.811747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.811747 (E_RNA)
where:
Base-Base interactions energy: -51.394
where: short stacking energy: -40.011
Base-Backbone interact. energy: 0.455
local terms energy: -92.872426
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -523.820193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.820193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.820193 (E_RNA)
where:
Base-Base interactions energy: -357.877
where: short stacking energy: -138.865
Base-Backbone interact. energy: -1.027
local terms energy: -164.916325
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -41.441
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: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -496.055009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.055009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.055009 (E_RNA)
where:
Base-Base interactions energy: -334.674
where: short stacking energy: -140.625
Base-Backbone interact. energy: 0.525
local terms energy: -161.906533
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -38.671
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -490.889333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.889333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.889333 (E_RNA)
where:
Base-Base interactions energy: -335.445
where: short stacking energy: -143.229
Base-Backbone interact. energy: -0.707
local terms energy: -154.737264
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -44.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -498.451436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.451436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.451436 (E_RNA)
where:
Base-Base interactions energy: -343.932
where: short stacking energy: -137.517
Base-Backbone interact. energy: -0.092
local terms energy: -154.427050
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -35.179
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -44.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -451.582505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.582505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.582505 (E_RNA)
where:
Base-Base interactions energy: -297.887
where: short stacking energy: -125.222
Base-Backbone interact. energy: -0.050
local terms energy: -153.645511
where:
bonds (distance) C4'-P energy: -26.252
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -43.084
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: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -379.164124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.164124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.164124 (E_RNA)
where:
Base-Base interactions energy: -242.590
where: short stacking energy: -112.420
Base-Backbone interact. energy: 0.197
local terms energy: -136.771021
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -27.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -377.629478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.629478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.629478 (E_RNA)
where:
Base-Base interactions energy: -242.478
where: short stacking energy: -112.341
Base-Backbone interact. energy: 1.079
local terms energy: -136.229988
where:
bonds (distance) C4'-P energy: -28.072
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -21.404
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: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -163.335265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.335265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.335265 (E_RNA)
where:
Base-Base interactions energy: -53.923
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.441
local terms energy: -108.970595
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -25.311
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -150.495973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.495973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.495973 (E_RNA)
where:
Base-Base interactions energy: -39.704
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.682
local terms energy: -110.110512
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -131.478490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.478490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.478490 (E_RNA)
where:
Base-Base interactions energy: -51.741
where: short stacking energy: -46.841
Base-Backbone interact. energy: 0.597
local terms energy: -80.334369
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -523.796800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.796800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.796800 (E_RNA)
where:
Base-Base interactions energy: -363.447
where: short stacking energy: -152.867
Base-Backbone interact. energy: -0.005
local terms energy: -160.345395
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -531.872779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.872779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.872779 (E_RNA)
where:
Base-Base interactions energy: -365.711
where: short stacking energy: -150.707
Base-Backbone interact. energy: -0.333
local terms energy: -165.828781
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -49.533
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: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -519.754371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.754371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.754371 (E_RNA)
where:
Base-Base interactions energy: -355.575
where: short stacking energy: -148.162
Base-Backbone interact. energy: 0.067
local terms energy: -164.246242
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -28.799
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -46.004
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: 478
Temperature: 1.050000
Total energy: -484.354582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.354582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.354582 (E_RNA)
where:
Base-Base interactions energy: -321.024
where: short stacking energy: -135.783
Base-Backbone interact. energy: -0.744
local terms energy: -162.586596
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -42.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -449.798059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.798059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.798059 (E_RNA)
where:
Base-Base interactions energy: -301.897
where: short stacking energy: -141.131
Base-Backbone interact. energy: 0.062
local terms energy: -147.963796
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -30.429
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -43.684
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: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -376.509700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.509700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.509700 (E_RNA)
where:
Base-Base interactions energy: -245.507
where: short stacking energy: -99.786
Base-Backbone interact. energy: -2.166
local terms energy: -128.837262
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -28.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -356.918967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.918967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.918967 (E_RNA)
where:
Base-Base interactions energy: -219.169
where: short stacking energy: -105.243
Base-Backbone interact. energy: -1.464
local terms energy: -136.285625
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -19.084
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -171.155418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.155418 (E_RNA)
where:
Base-Base interactions energy: -60.536
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.340
local terms energy: -110.280078
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -158.037809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.037809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.037809 (E_RNA)
where:
Base-Base interactions energy: -44.326
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.652
local terms energy: -113.059949
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -141.541612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.541612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.541612 (E_RNA)
where:
Base-Base interactions energy: -57.311
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.335
local terms energy: -83.895673
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -14.377
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: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -523.808963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.808963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.808963 (E_RNA)
where:
Base-Base interactions energy: -360.832
where: short stacking energy: -151.533
Base-Backbone interact. energy: -0.443
local terms energy: -162.533900
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -41.879
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -516.106638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.106638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.106638 (E_RNA)
where:
Base-Base interactions energy: -362.868
where: short stacking energy: -141.961
Base-Backbone interact. energy: -0.238
local terms energy: -153.001029
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -40.328
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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -512.148560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.148560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.148560 (E_RNA)
where:
Base-Base interactions energy: -345.230
where: short stacking energy: -147.778
Base-Backbone interact. energy: -0.244
local terms energy: -166.674817
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -50.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -448.573386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.573386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.573386 (E_RNA)
where:
Base-Base interactions energy: -290.688
where: short stacking energy: -136.349
Base-Backbone interact. energy: -0.074
local terms energy: -157.811471
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -29.579
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -42.313
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: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -490.544804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.544804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.544804 (E_RNA)
where:
Base-Base interactions energy: -334.103
where: short stacking energy: -138.289
Base-Backbone interact. energy: -1.041
local terms energy: -155.400411
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -23.645
tors. eta vs tors. theta energy: -37.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -386.265823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.265823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.265823 (E_RNA)
where:
Base-Base interactions energy: -246.405
where: short stacking energy: -118.487
Base-Backbone interact. energy: -0.634
local terms energy: -139.226414
where:
bonds (distance) C4'-P energy: -30.274
bonds (distance) P-C4' energy: -28.116
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -34.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -351.861481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.861481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.861481 (E_RNA)
where:
Base-Base interactions energy: -227.950
where: short stacking energy: -94.817
Base-Backbone interact. energy: -0.142
local terms energy: -123.769539
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -14.738
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -177.362937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.362937 (E_RNA)
where:
Base-Base interactions energy: -75.087
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.492
local terms energy: -101.783771
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -156.981856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.981856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.981856 (E_RNA)
where:
Base-Base interactions energy: -69.451
where: short stacking energy: -44.915
Base-Backbone interact. energy: -0.251
local terms energy: -87.279225
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: 4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -129.052872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.052872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.052872 (E_RNA)
where:
Base-Base interactions energy: -41.131
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.556
local terms energy: -87.365417
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -525.829889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.829889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.829889 (E_RNA)
where:
Base-Base interactions energy: -358.713
where: short stacking energy: -144.957
Base-Backbone interact. energy: -0.839
local terms energy: -166.278502
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -504.975044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.975044 (E_RNA)
where:
Base-Base interactions energy: -345.446
where: short stacking energy: -143.787
Base-Backbone interact. energy: -0.254
local terms energy: -159.275157
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -33.926
flat angles P-C4'-P energy: -28.419
tors. eta vs tors. theta energy: -42.589
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: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -512.273976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.273976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.273976 (E_RNA)
where:
Base-Base interactions energy: -356.691
where: short stacking energy: -142.507
Base-Backbone interact. energy: -0.121
local terms energy: -155.462582
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -47.274
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: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -433.418153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.418153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.418153 (E_RNA)
where:
Base-Base interactions energy: -291.507
where: short stacking energy: -133.725
Base-Backbone interact. energy: -0.667
local terms energy: -141.244076
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -37.297
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: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -484.286781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.286781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.286781 (E_RNA)
where:
Base-Base interactions energy: -334.089
where: short stacking energy: -138.673
Base-Backbone interact. energy: -0.331
local terms energy: -149.867005
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -410.581285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.581285 (E_RNA)
where:
Base-Base interactions energy: -269.715
where: short stacking energy: -122.272
Base-Backbone interact. energy: -1.739
local terms energy: -139.127714
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -32.082
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -388.229249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.229249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.229249 (E_RNA)
where:
Base-Base interactions energy: -259.405
where: short stacking energy: -107.794
Base-Backbone interact. energy: -1.002
local terms energy: -127.822960
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -28.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -185.540061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.540061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.540061 (E_RNA)
where:
Base-Base interactions energy: -88.235
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.123
local terms energy: -97.182500
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -151.545386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.545386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.545386 (E_RNA)
where:
Base-Base interactions energy: -55.022
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.050
local terms energy: -96.473942
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -25.498
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: 5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -155.810806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.810806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.810806 (E_RNA)
where:
Base-Base interactions energy: -69.301
where: short stacking energy: -69.301
Base-Backbone interact. energy: 0.376
local terms energy: -86.886459
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -512.763574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.763574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.763574 (E_RNA)
where:
Base-Base interactions energy: -351.331
where: short stacking energy: -142.536
Base-Backbone interact. energy: -0.530
local terms energy: -160.902611
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -37.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -524.875392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.875392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.875392 (E_RNA)
where:
Base-Base interactions energy: -354.728
where: short stacking energy: -146.119
Base-Backbone interact. energy: -0.204
local terms energy: -169.943467
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -35.055
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -49.935
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: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -507.322487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.322487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.322487 (E_RNA)
where:
Base-Base interactions energy: -343.531
where: short stacking energy: -151.435
Base-Backbone interact. energy: -0.460
local terms energy: -163.331436
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -46.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -497.835943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.835943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.835943 (E_RNA)
where:
Base-Base interactions energy: -339.799
where: short stacking energy: -144.339
Base-Backbone interact. energy: -0.758
local terms energy: -157.278634
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -37.474
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -41.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -446.314867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.314867 (E_RNA)
where:
Base-Base interactions energy: -296.196
where: short stacking energy: -127.897
Base-Backbone interact. energy: 0.892
local terms energy: -151.011355
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -41.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -409.905484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.905484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.905484 (E_RNA)
where:
Base-Base interactions energy: -261.607
where: short stacking energy: -115.764
Base-Backbone interact. energy: -0.253
local terms energy: -148.045780
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -39.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -395.274670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.274670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.274670 (E_RNA)
where:
Base-Base interactions energy: -266.175
where: short stacking energy: -111.314
Base-Backbone interact. energy: 3.184
local terms energy: -132.283341
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -32.581
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: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -153.009789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.009789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.009789 (E_RNA)
where:
Base-Base interactions energy: -58.478
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.517
local terms energy: -94.014593
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 0.124
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: 481
Temperature: 1.300000
Total energy: -169.336796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.336796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.336796 (E_RNA)
where:
Base-Base interactions energy: -60.979
where: short stacking energy: -38.941
Base-Backbone interact. energy: 0.118
local terms energy: -108.475513
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -145.209409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.209409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.209409 (E_RNA)
where:
Base-Base interactions energy: -60.959
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.786
local terms energy: -83.464634
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -525.367978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.367978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.367978 (E_RNA)
where:
Base-Base interactions energy: -361.323
where: short stacking energy: -143.990
Base-Backbone interact. energy: -0.103
local terms energy: -163.942181
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -45.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -514.537956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.537956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.537956 (E_RNA)
where:
Base-Base interactions energy: -347.731
where: short stacking energy: -144.740
Base-Backbone interact. energy: -0.682
local terms energy: -166.124868
where:
bonds (distance) C4'-P energy: -30.017
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -45.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -515.257618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.257618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.257618 (E_RNA)
where:
Base-Base interactions energy: -351.822
where: short stacking energy: -142.366
Base-Backbone interact. energy: -0.159
local terms energy: -163.276908
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -38.948
flat angles P-C4'-P energy: -23.316
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -509.813429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.813429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.813429 (E_RNA)
where:
Base-Base interactions energy: -351.598
where: short stacking energy: -143.684
Base-Backbone interact. energy: -0.849
local terms energy: -157.365982
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -40.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -443.396270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.396270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.396270 (E_RNA)
where:
Base-Base interactions energy: -290.613
where: short stacking energy: -130.259
Base-Backbone interact. energy: -0.375
local terms energy: -152.407713
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -424.673596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.673596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.673596 (E_RNA)
where:
Base-Base interactions energy: -280.672
where: short stacking energy: -130.102
Base-Backbone interact. energy: -0.099
local terms energy: -143.901964
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -17.827
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: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -398.821760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.821760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.821760 (E_RNA)
where:
Base-Base interactions energy: -256.635
where: short stacking energy: -125.003
Base-Backbone interact. energy: -0.236
local terms energy: -141.951363
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -38.146
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: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -157.685620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.685620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.685620 (E_RNA)
where:
Base-Base interactions energy: -51.950
where: short stacking energy: -50.574
Base-Backbone interact. energy: 0.438
local terms energy: -106.173868
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -29.547
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -150.528693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.528693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.528693 (E_RNA)
where:
Base-Base interactions energy: -63.274
where: short stacking energy: -51.354
Base-Backbone interact. energy: 2.584
local terms energy: -89.838094
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -141.070051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.070051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.070051 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.125
local terms energy: -99.736981
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -525.769867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.769867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.769867 (E_RNA)
where:
Base-Base interactions energy: -357.572
where: short stacking energy: -145.090
Base-Backbone interact. energy: -0.268
local terms energy: -167.929546
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -43.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -521.932253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.932253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.932253 (E_RNA)
where:
Base-Base interactions energy: -357.830
where: short stacking energy: -160.907
Base-Backbone interact. energy: -0.773
local terms energy: -163.329452
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -42.594
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: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -516.950191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.950191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.950191 (E_RNA)
where:
Base-Base interactions energy: -352.233
where: short stacking energy: -152.368
Base-Backbone interact. energy: -0.038
local terms energy: -164.679671
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -36.969
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -50.303
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: 483
Temperature: 1.050000
Total energy: -490.345099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.345099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.345099 (E_RNA)
where:
Base-Base interactions energy: -332.955
where: short stacking energy: -145.138
Base-Backbone interact. energy: -0.947
local terms energy: -156.442659
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -436.251398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.251398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.251398 (E_RNA)
where:
Base-Base interactions energy: -288.761
where: short stacking energy: -125.165
Base-Backbone interact. energy: -0.728
local terms energy: -146.763053
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -41.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -388.421910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.421910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.421910 (E_RNA)
where:
Base-Base interactions energy: -247.479
where: short stacking energy: -113.395
Base-Backbone interact. energy: -0.264
local terms energy: -140.678986
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -418.753537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.753537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.753537 (E_RNA)
where:
Base-Base interactions energy: -288.364
where: short stacking energy: -123.459
Base-Backbone interact. energy: -0.343
local terms energy: -130.046569
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -37.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -161.213812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.213812 (E_RNA)
where:
Base-Base interactions energy: -57.313
where: short stacking energy: -51.622
Base-Backbone interact. energy: -1.603
local terms energy: -102.297904
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -144.610695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.610695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.610695 (E_RNA)
where:
Base-Base interactions energy: -43.043
where: short stacking energy: -33.031
Base-Backbone interact. energy: -1.122
local terms energy: -100.445206
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -6.207
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: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -148.181350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.181350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.181350 (E_RNA)
where:
Base-Base interactions energy: -50.325
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.303
local terms energy: -97.553647
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -518.859154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.859154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.859154 (E_RNA)
where:
Base-Base interactions energy: -359.132
where: short stacking energy: -151.796
Base-Backbone interact. energy: -0.023
local terms energy: -159.704503
where:
bonds (distance) C4'-P energy: -32.250
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -47.919
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: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -522.829132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.829132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.829132 (E_RNA)
where:
Base-Base interactions energy: -353.106
where: short stacking energy: -161.549
Base-Backbone interact. energy: -0.974
local terms energy: -168.748613
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -32.858
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -41.198
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -518.401311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.401311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.401311 (E_RNA)
where:
Base-Base interactions energy: -347.925
where: short stacking energy: -146.422
Base-Backbone interact. energy: -0.571
local terms energy: -169.904719
where:
bonds (distance) C4'-P energy: -33.003
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -504.589188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.589188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.589188 (E_RNA)
where:
Base-Base interactions energy: -343.192
where: short stacking energy: -153.307
Base-Backbone interact. energy: -0.623
local terms energy: -160.774536
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -443.387389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.387389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.387389 (E_RNA)
where:
Base-Base interactions energy: -300.102
where: short stacking energy: -132.314
Base-Backbone interact. energy: -0.158
local terms energy: -143.127577
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -43.668
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: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -370.975386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.975386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.975386 (E_RNA)
where:
Base-Base interactions energy: -251.595
where: short stacking energy: -109.707
Base-Backbone interact. energy: -0.196
local terms energy: -119.183843
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -401.358790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.358790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.358790 (E_RNA)
where:
Base-Base interactions energy: -258.786
where: short stacking energy: -111.800
Base-Backbone interact. energy: -0.203
local terms energy: -142.369400
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -32.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -148.914265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.914265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.914265 (E_RNA)
where:
Base-Base interactions energy: -67.015
where: short stacking energy: -35.411
Base-Backbone interact. energy: 0.654
local terms energy: -82.553127
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -144.940009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.940009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.940009 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.361
local terms energy: -100.355044
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -145.630032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.630032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.630032 (E_RNA)
where:
Base-Base interactions energy: -49.067
where: short stacking energy: -44.324
Base-Backbone interact. energy: -0.195
local terms energy: -96.367961
where:
bonds (distance) C4'-P energy: -27.370
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -18.371
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: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -534.339111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.339111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.339111 (E_RNA)
where:
Base-Base interactions energy: -365.746
where: short stacking energy: -166.788
Base-Backbone interact. energy: -0.780
local terms energy: -167.812955
where:
bonds (distance) C4'-P energy: -30.741
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -34.215
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -46.632
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: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -520.814237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.814237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.814237 (E_RNA)
where:
Base-Base interactions energy: -362.326
where: short stacking energy: -153.617
Base-Backbone interact. energy: -0.901
local terms energy: -157.587494
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -44.561
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: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -509.080682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.080682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.080682 (E_RNA)
where:
Base-Base interactions energy: -350.161
where: short stacking energy: -148.440
Base-Backbone interact. energy: 0.133
local terms energy: -159.052739
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -39.054
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -46.774
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: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -505.190218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.190218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.190218 (E_RNA)
where:
Base-Base interactions energy: -344.973
where: short stacking energy: -143.644
Base-Backbone interact. energy: -0.255
local terms energy: -159.962497
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -48.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -437.580276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.580276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.580276 (E_RNA)
where:
Base-Base interactions energy: -297.031
where: short stacking energy: -129.922
Base-Backbone interact. energy: -1.085
local terms energy: -139.465028
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -424.540205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.540205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.540205 (E_RNA)
where:
Base-Base interactions energy: -273.264
where: short stacking energy: -124.050
Base-Backbone interact. energy: 0.413
local terms energy: -151.689622
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -37.354
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -376.349205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.349205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.349205 (E_RNA)
where:
Base-Base interactions energy: -237.220
where: short stacking energy: -101.340
Base-Backbone interact. energy: -0.180
local terms energy: -138.949328
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -25.395
flat angles P-C4'-P energy: -24.227
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: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -143.395791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.395791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.395791 (E_RNA)
where:
Base-Base interactions energy: -39.098
where: short stacking energy: -34.161
Base-Backbone interact. energy: -1.005
local terms energy: -103.292628
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -140.655815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.655815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.655815 (E_RNA)
where:
Base-Base interactions energy: -53.221
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.243
local terms energy: -87.191331
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: 5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -151.836324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.836324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.836324 (E_RNA)
where:
Base-Base interactions energy: -67.638
where: short stacking energy: -39.391
Base-Backbone interact. energy: -1.450
local terms energy: -82.748474
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: 2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -527.129891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.129891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.129891 (E_RNA)
where:
Base-Base interactions energy: -366.779
where: short stacking energy: -146.388
Base-Backbone interact. energy: 1.139
local terms energy: -161.489671
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -43.965
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: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -515.789889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.789889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.789889 (E_RNA)
where:
Base-Base interactions energy: -345.829
where: short stacking energy: -155.510
Base-Backbone interact. energy: -1.154
local terms energy: -168.807207
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -34.815
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -47.390
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: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -512.463726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.463726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.463726 (E_RNA)
where:
Base-Base interactions energy: -343.359
where: short stacking energy: -153.394
Base-Backbone interact. energy: 0.145
local terms energy: -169.250255
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -486.573810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.573810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.573810 (E_RNA)
where:
Base-Base interactions energy: -332.284
where: short stacking energy: -142.867
Base-Backbone interact. energy: 1.205
local terms energy: -155.494957
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -43.734
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: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -426.681758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.681758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.681758 (E_RNA)
where:
Base-Base interactions energy: -283.492
where: short stacking energy: -126.317
Base-Backbone interact. energy: 0.069
local terms energy: -143.258733
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -37.683
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: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -409.213853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.213853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.213853 (E_RNA)
where:
Base-Base interactions energy: -284.348
where: short stacking energy: -125.014
Base-Backbone interact. energy: -0.156
local terms energy: -124.709903
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -36.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -366.872005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.872005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.872005 (E_RNA)
where:
Base-Base interactions energy: -235.581
where: short stacking energy: -101.034
Base-Backbone interact. energy: 0.750
local terms energy: -132.040977
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -169.614186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.614186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.614186 (E_RNA)
where:
Base-Base interactions energy: -69.506
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.349
local terms energy: -99.758861
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -217.831729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.831729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.831729 (E_RNA)
where:
Base-Base interactions energy: -115.038
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.908
local terms energy: -101.885958
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -8.326
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: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -157.653657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653657 (E_RNA)
where:
Base-Base interactions energy: -67.482
where: short stacking energy: -29.136
Base-Backbone interact. energy: -1.328
local terms energy: -88.842837
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -532.897142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.897142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.897142 (E_RNA)
where:
Base-Base interactions energy: -357.895
where: short stacking energy: -150.980
Base-Backbone interact. energy: -0.364
local terms energy: -174.637786
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -51.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -508.086521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.086521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.086521 (E_RNA)
where:
Base-Base interactions energy: -349.793
where: short stacking energy: -149.704
Base-Backbone interact. energy: 0.305
local terms energy: -158.598731
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -44.487
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: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -493.716164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.716164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.716164 (E_RNA)
where:
Base-Base interactions energy: -341.375
where: short stacking energy: -136.936
Base-Backbone interact. energy: -0.185
local terms energy: -152.155826
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -43.303
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: 487
Temperature: 1.050000
Total energy: -487.817661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.817661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.817661 (E_RNA)
where:
Base-Base interactions energy: -332.944
where: short stacking energy: -135.561
Base-Backbone interact. energy: 1.587
local terms energy: -156.460616
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -29.748
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -42.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -419.081621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.081621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.081621 (E_RNA)
where:
Base-Base interactions energy: -286.542
where: short stacking energy: -123.776
Base-Backbone interact. energy: -1.103
local terms energy: -131.436705
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -34.809
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: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -429.752315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.752315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.752315 (E_RNA)
where:
Base-Base interactions energy: -299.260
where: short stacking energy: -128.858
Base-Backbone interact. energy: -0.812
local terms energy: -129.680444
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -22.581
tors. eta vs tors. theta energy: -34.319
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: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -369.628656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.628656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.628656 (E_RNA)
where:
Base-Base interactions energy: -245.950
where: short stacking energy: -115.145
Base-Backbone interact. energy: -0.380
local terms energy: -123.298872
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -23.478
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: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -172.477778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.477778 (E_RNA)
where:
Base-Base interactions energy: -74.253
where: short stacking energy: -54.430
Base-Backbone interact. energy: 0.125
local terms energy: -98.349353
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -160.576949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.576949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576949 (E_RNA)
where:
Base-Base interactions energy: -69.032
where: short stacking energy: -48.375
Base-Backbone interact. energy: -0.873
local terms energy: -90.672181
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -150.602267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.602267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.602267 (E_RNA)
where:
Base-Base interactions energy: -63.954
where: short stacking energy: -44.001
Base-Backbone interact. energy: -1.704
local terms energy: -84.944497
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -522.054377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.054377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.054377 (E_RNA)
where:
Base-Base interactions energy: -365.837
where: short stacking energy: -162.229
Base-Backbone interact. energy: -0.769
local terms energy: -155.448457
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -46.350
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: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -518.967387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.967387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.967387 (E_RNA)
where:
Base-Base interactions energy: -348.743
where: short stacking energy: -146.377
Base-Backbone interact. energy: -0.438
local terms energy: -169.786320
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -45.552
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: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -508.249040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.249040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.249040 (E_RNA)
where:
Base-Base interactions energy: -354.325
where: short stacking energy: -148.479
Base-Backbone interact. energy: -0.071
local terms energy: -153.853037
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -47.232
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: 488
Temperature: 1.050000
Total energy: -501.784863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.784863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.784863 (E_RNA)
where:
Base-Base interactions energy: -341.444
where: short stacking energy: -151.743
Base-Backbone interact. energy: -0.019
local terms energy: -160.322306
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -47.178
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: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -424.087645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.087645 (E_RNA)
where:
Base-Base interactions energy: -281.527
where: short stacking energy: -119.114
Base-Backbone interact. energy: -1.393
local terms energy: -141.167078
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -34.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -423.917011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.917011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.917011 (E_RNA)
where:
Base-Base interactions energy: -285.806
where: short stacking energy: -117.432
Base-Backbone interact. energy: -0.399
local terms energy: -137.711711
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -36.200
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: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -377.355151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.355151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.355151 (E_RNA)
where:
Base-Base interactions energy: -235.142
where: short stacking energy: -119.115
Base-Backbone interact. energy: -0.788
local terms energy: -141.424891
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -193.414586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.414586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.414586 (E_RNA)
where:
Base-Base interactions energy: -70.359
where: short stacking energy: -56.809
Base-Backbone interact. energy: 1.152
local terms energy: -124.207459
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -144.128068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.128068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.128068 (E_RNA)
where:
Base-Base interactions energy: -44.102
where: short stacking energy: -34.473
Base-Backbone interact. energy: 0.902
local terms energy: -100.928563
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -14.975
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: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -146.388666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.388666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.388666 (E_RNA)
where:
Base-Base interactions energy: -57.977
where: short stacking energy: -32.796
Base-Backbone interact. energy: 5.552
local terms energy: -93.964062
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: 5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -529.954668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.954668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.954668 (E_RNA)
where:
Base-Base interactions energy: -366.650
where: short stacking energy: -165.544
Base-Backbone interact. energy: -0.151
local terms energy: -163.153635
where:
bonds (distance) C4'-P energy: -27.698
bonds (distance) P-C4' energy: -32.921
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -48.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -522.756511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.756511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.756511 (E_RNA)
where:
Base-Base interactions energy: -361.238
where: short stacking energy: -147.309
Base-Backbone interact. energy: -0.189
local terms energy: -161.329876
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -43.183
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: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -521.676166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.676166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.676166 (E_RNA)
where:
Base-Base interactions energy: -361.363
where: short stacking energy: -146.797
Base-Backbone interact. energy: -1.100
local terms energy: -159.212838
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -42.276
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: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -509.584843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.584843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.584843 (E_RNA)
where:
Base-Base interactions energy: -361.528
where: short stacking energy: -140.169
Base-Backbone interact. energy: -0.345
local terms energy: -147.711694
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -27.834
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -39.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -424.835796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.835796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.835796 (E_RNA)
where:
Base-Base interactions energy: -293.509
where: short stacking energy: -121.409
Base-Backbone interact. energy: -2.294
local terms energy: -129.032295
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -35.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -418.157404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.157404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.157404 (E_RNA)
where:
Base-Base interactions energy: -273.446
where: short stacking energy: -109.402
Base-Backbone interact. energy: -0.529
local terms energy: -144.182847
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -34.819
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: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -361.152057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.152057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.152057 (E_RNA)
where:
Base-Base interactions energy: -222.375
where: short stacking energy: -99.798
Base-Backbone interact. energy: -0.131
local terms energy: -138.646497
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -16.489
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: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -149.325340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.325340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.325340 (E_RNA)
where:
Base-Base interactions energy: -49.500
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.173
local terms energy: -99.652224
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -27.990
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -155.953419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.953419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.953419 (E_RNA)
where:
Base-Base interactions energy: -89.848
where: short stacking energy: -49.719
Base-Backbone interact. energy: -1.230
local terms energy: -64.875632
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: 4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -138.317539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.317539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.317539 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -37.094
Base-Backbone interact. energy: -0.137
local terms energy: -100.200167
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -533.013273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.013273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.013273 (E_RNA)
where:
Base-Base interactions energy: -375.386
where: short stacking energy: -153.405
Base-Backbone interact. energy: -0.005
local terms energy: -157.622098
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -39.057
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: 490
Temperature: 0.950000
Total energy: -522.280204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.280204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.280204 (E_RNA)
where:
Base-Base interactions energy: -358.148
where: short stacking energy: -151.447
Base-Backbone interact. energy: -0.684
local terms energy: -163.448020
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -38.022
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -45.721
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: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -504.497807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.497807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.497807 (E_RNA)
where:
Base-Base interactions energy: -351.588
where: short stacking energy: -140.946
Base-Backbone interact. energy: -0.994
local terms energy: -151.916284
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -39.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -513.053108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.053108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.053108 (E_RNA)
where:
Base-Base interactions energy: -360.355
where: short stacking energy: -144.702
Base-Backbone interact. energy: -0.126
local terms energy: -152.571635
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -44.295
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -440.607954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.607954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.607954 (E_RNA)
where:
Base-Base interactions energy: -285.949
where: short stacking energy: -127.681
Base-Backbone interact. energy: -1.205
local terms energy: -153.453462
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -37.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -422.523121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.523121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.523121 (E_RNA)
where:
Base-Base interactions energy: -282.527
where: short stacking energy: -124.084
Base-Backbone interact. energy: -0.108
local terms energy: -139.888398
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -36.171
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: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -345.287480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.287480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.287480 (E_RNA)
where:
Base-Base interactions energy: -209.680
where: short stacking energy: -102.254
Base-Backbone interact. energy: 1.265
local terms energy: -136.872599
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -32.895
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -156.407034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.407034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.407034 (E_RNA)
where:
Base-Base interactions energy: -55.679
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.806
local terms energy: -99.922423
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -133.695964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.695964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.695964 (E_RNA)
where:
Base-Base interactions energy: -52.629
where: short stacking energy: -39.046
Base-Backbone interact. energy: 1.401
local terms energy: -82.468153
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -140.438382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.438382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.438382 (E_RNA)
where:
Base-Base interactions energy: -57.647
where: short stacking energy: -51.243
Base-Backbone interact. energy: 2.939
local terms energy: -85.730389
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -0.663
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: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -535.616868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.616868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.616868 (E_RNA)
where:
Base-Base interactions energy: -370.914
where: short stacking energy: -153.010
Base-Backbone interact. energy: -0.544
local terms energy: -164.159140
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -33.599
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -42.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -521.600535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.600535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.600535 (E_RNA)
where:
Base-Base interactions energy: -349.727
where: short stacking energy: -150.715
Base-Backbone interact. energy: 0.449
local terms energy: -172.321874
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -510.486318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.486318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.486318 (E_RNA)
where:
Base-Base interactions energy: -356.217
where: short stacking energy: -157.190
Base-Backbone interact. energy: -0.032
local terms energy: -154.237341
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -45.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -498.306713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.306713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.306713 (E_RNA)
where:
Base-Base interactions energy: -339.365
where: short stacking energy: -144.245
Base-Backbone interact. energy: -0.139
local terms energy: -158.802878
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -432.683736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.683736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.683736 (E_RNA)
where:
Base-Base interactions energy: -284.855
where: short stacking energy: -120.432
Base-Backbone interact. energy: -0.389
local terms energy: -147.440359
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -40.382
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: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -421.087908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.087908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.087908 (E_RNA)
where:
Base-Base interactions energy: -286.507
where: short stacking energy: -121.878
Base-Backbone interact. energy: -0.118
local terms energy: -134.462688
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -35.695
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: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -374.993843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.993843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.993843 (E_RNA)
where:
Base-Base interactions energy: -237.137
where: short stacking energy: -118.493
Base-Backbone interact. energy: 0.929
local terms energy: -138.786574
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -32.877
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: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -160.008957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.008957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.008957 (E_RNA)
where:
Base-Base interactions energy: -64.250
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.289
local terms energy: -95.469284
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -138.141666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.141666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.141666 (E_RNA)
where:
Base-Base interactions energy: -58.178
where: short stacking energy: -45.966
Base-Backbone interact. energy: 0.929
local terms energy: -80.892307
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: 4.991
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: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -132.936513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.936513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.936513 (E_RNA)
where:
Base-Base interactions energy: -30.453
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.117
local terms energy: -102.366450
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -33.222
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -12.148
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: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -530.604926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.604926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.604926 (E_RNA)
where:
Base-Base interactions energy: -364.666
where: short stacking energy: -147.847
Base-Backbone interact. energy: -0.894
local terms energy: -165.045046
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -43.342
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -519.483382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.483382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.483382 (E_RNA)
where:
Base-Base interactions energy: -349.067
where: short stacking energy: -158.888
Base-Backbone interact. energy: -1.281
local terms energy: -169.135337
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -47.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -509.046405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.046405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.046405 (E_RNA)
where:
Base-Base interactions energy: -354.800
where: short stacking energy: -151.847
Base-Backbone interact. energy: -0.810
local terms energy: -153.436415
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -39.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -504.440137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.440137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.440137 (E_RNA)
where:
Base-Base interactions energy: -346.062
where: short stacking energy: -142.964
Base-Backbone interact. energy: -1.221
local terms energy: -157.156415
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -32.363
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -41.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -437.180992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.180992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.180992 (E_RNA)
where:
Base-Base interactions energy: -298.310
where: short stacking energy: -139.725
Base-Backbone interact. energy: -2.153
local terms energy: -136.718284
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -25.708
tors. eta vs tors. theta energy: -43.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -430.173618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.173618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.173618 (E_RNA)
where:
Base-Base interactions energy: -292.079
where: short stacking energy: -136.261
Base-Backbone interact. energy: 0.572
local terms energy: -138.666898
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -29.929
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -36.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -360.225512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.225512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.225512 (E_RNA)
where:
Base-Base interactions energy: -231.574
where: short stacking energy: -107.933
Base-Backbone interact. energy: -0.813
local terms energy: -127.839145
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -18.549
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: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -149.879662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.879662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.879662 (E_RNA)
where:
Base-Base interactions energy: -36.504
where: short stacking energy: -37.496
Base-Backbone interact. energy: -1.787
local terms energy: -111.588962
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -166.871877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.871877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.871877 (E_RNA)
where:
Base-Base interactions energy: -71.616
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.519
local terms energy: -94.737383
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -155.446449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.446449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.446449 (E_RNA)
where:
Base-Base interactions energy: -71.177
where: short stacking energy: -51.294
Base-Backbone interact. energy: -1.091
local terms energy: -83.178874
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -524.499011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.499011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.499011 (E_RNA)
where:
Base-Base interactions energy: -362.969
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.077
local terms energy: -161.452517
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -35.798
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -42.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -516.507729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.507729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.507729 (E_RNA)
where:
Base-Base interactions energy: -353.107
where: short stacking energy: -150.893
Base-Backbone interact. energy: -2.183
local terms energy: -161.217144
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -503.518692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.518692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.518692 (E_RNA)
where:
Base-Base interactions energy: -344.081
where: short stacking energy: -136.720
Base-Backbone interact. energy: 0.485
local terms energy: -159.923054
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -43.658
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: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -502.177762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.177762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.177762 (E_RNA)
where:
Base-Base interactions energy: -340.367
where: short stacking energy: -141.334
Base-Backbone interact. energy: 0.538
local terms energy: -162.349027
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -27.011
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -434.769872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.769872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.769872 (E_RNA)
where:
Base-Base interactions energy: -279.851
where: short stacking energy: -127.051
Base-Backbone interact. energy: -0.478
local terms energy: -154.440635
where:
bonds (distance) C4'-P energy: -31.293
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -42.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -410.354927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.354927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.354927 (E_RNA)
where:
Base-Base interactions energy: -282.498
where: short stacking energy: -116.727
Base-Backbone interact. energy: -0.866
local terms energy: -126.991399
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -31.462
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -26.175
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: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -374.545318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.545318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.545318 (E_RNA)
where:
Base-Base interactions energy: -238.646
where: short stacking energy: -117.104
Base-Backbone interact. energy: -0.347
local terms energy: -135.552874
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -18.503
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: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -171.716771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.716771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.716771 (E_RNA)
where:
Base-Base interactions energy: -56.631
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.316
local terms energy: -114.769203
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -153.762130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.762130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.762130 (E_RNA)
where:
Base-Base interactions energy: -62.003
where: short stacking energy: -44.831
Base-Backbone interact. energy: -0.527
local terms energy: -91.231959
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -32.662
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: 1.106
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: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -136.467400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.467400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.467400 (E_RNA)
where:
Base-Base interactions energy: -58.247
where: short stacking energy: -45.359
Base-Backbone interact. energy: 1.248
local terms energy: -79.468898
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -529.304811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.304811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.304811 (E_RNA)
where:
Base-Base interactions energy: -361.700
where: short stacking energy: -157.873
Base-Backbone interact. energy: -0.336
local terms energy: -167.268475
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -45.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -508.551560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.551560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.551560 (E_RNA)
where:
Base-Base interactions energy: -332.363
where: short stacking energy: -146.974
Base-Backbone interact. energy: -0.159
local terms energy: -176.029117
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -47.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -504.952107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.952107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.952107 (E_RNA)
where:
Base-Base interactions energy: -348.254
where: short stacking energy: -149.812
Base-Backbone interact. energy: -0.609
local terms energy: -156.088896
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -41.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -499.958798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.958798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.958798 (E_RNA)
where:
Base-Base interactions energy: -343.389
where: short stacking energy: -140.457
Base-Backbone interact. energy: -0.172
local terms energy: -156.397674
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -39.675
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: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -431.026743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.026743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.026743 (E_RNA)
where:
Base-Base interactions energy: -305.721
where: short stacking energy: -130.403
Base-Backbone interact. energy: 4.712
local terms energy: -130.018015
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -23.084
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -394.959489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.959489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.959489 (E_RNA)
where:
Base-Base interactions energy: -259.512
where: short stacking energy: -114.241
Base-Backbone interact. energy: -0.742
local terms energy: -134.705415
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -375.221306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.221306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.221306 (E_RNA)
where:
Base-Base interactions energy: -253.983
where: short stacking energy: -126.589
Base-Backbone interact. energy: -0.209
local terms energy: -121.029888
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -32.678
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: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -164.243967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.243967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.243967 (E_RNA)
where:
Base-Base interactions energy: -59.859
where: short stacking energy: -44.552
Base-Backbone interact. energy: -0.551
local terms energy: -103.833758
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -180.575453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.575453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575453 (E_RNA)
where:
Base-Base interactions energy: -76.702
where: short stacking energy: -39.412
Base-Backbone interact. energy: -1.580
local terms energy: -102.293556
where:
bonds (distance) C4'-P energy: -30.712
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -5.823
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: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -162.769827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.769827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.769827 (E_RNA)
where:
Base-Base interactions energy: -68.055
where: short stacking energy: -62.141
Base-Backbone interact. energy: -1.288
local terms energy: -93.427261
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -532.576026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.576026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.576026 (E_RNA)
where:
Base-Base interactions energy: -361.817
where: short stacking energy: -150.480
Base-Backbone interact. energy: -0.083
local terms energy: -170.676082
where:
bonds (distance) C4'-P energy: -30.291
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -37.552
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -46.999
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: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -515.942158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.942158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.942158 (E_RNA)
where:
Base-Base interactions energy: -357.936
where: short stacking energy: -151.527
Base-Backbone interact. energy: -0.694
local terms energy: -157.311532
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -516.988408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.988408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.988408 (E_RNA)
where:
Base-Base interactions energy: -361.773
where: short stacking energy: -146.272
Base-Backbone interact. energy: -0.338
local terms energy: -154.877138
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -40.582
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: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -506.789568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.789568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.789568 (E_RNA)
where:
Base-Base interactions energy: -348.003
where: short stacking energy: -138.997
Base-Backbone interact. energy: -0.266
local terms energy: -158.520045
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -428.245191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.245191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.245191 (E_RNA)
where:
Base-Base interactions energy: -284.524
where: short stacking energy: -125.863
Base-Backbone interact. energy: -0.133
local terms energy: -143.588863
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -41.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -408.186923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.186923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.186923 (E_RNA)
where:
Base-Base interactions energy: -271.018
where: short stacking energy: -110.985
Base-Backbone interact. energy: -0.965
local terms energy: -136.204027
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -30.631
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -32.795
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: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -380.652566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.652566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.652566 (E_RNA)
where:
Base-Base interactions energy: -251.101
where: short stacking energy: -114.564
Base-Backbone interact. energy: -0.257
local terms energy: -129.294094
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -171.670929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.670929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.670929 (E_RNA)
where:
Base-Base interactions energy: -68.949
where: short stacking energy: -40.160
Base-Backbone interact. energy: -0.913
local terms energy: -101.808200
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -168.711264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.711264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.711264 (E_RNA)
where:
Base-Base interactions energy: -76.606
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.419
local terms energy: -91.686078
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -128.654401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.654401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.654401 (E_RNA)
where:
Base-Base interactions energy: -48.755
where: short stacking energy: -37.997
Base-Backbone interact. energy: 0.541
local terms energy: -80.440424
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -529.634975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.634975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.634975 (E_RNA)
where:
Base-Base interactions energy: -358.739
where: short stacking energy: -150.825
Base-Backbone interact. energy: -0.125
local terms energy: -170.770257
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -26.163
tors. eta vs tors. theta energy: -45.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -523.474180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.474180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.474180 (E_RNA)
where:
Base-Base interactions energy: -366.193
where: short stacking energy: -144.936
Base-Backbone interact. energy: -0.247
local terms energy: -157.034167
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -490.448698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.448698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.448698 (E_RNA)
where:
Base-Base interactions energy: -331.664
where: short stacking energy: -144.459
Base-Backbone interact. energy: -0.099
local terms energy: -158.686107
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -41.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -500.217988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.217988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.217988 (E_RNA)
where:
Base-Base interactions energy: -351.975
where: short stacking energy: -145.312
Base-Backbone interact. energy: 0.489
local terms energy: -148.731516
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -44.078
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: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -441.005087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.005087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.005087 (E_RNA)
where:
Base-Base interactions energy: -287.899
where: short stacking energy: -117.955
Base-Backbone interact. energy: -0.105
local terms energy: -153.000465
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -38.367
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: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -397.782292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.782292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.782292 (E_RNA)
where:
Base-Base interactions energy: -265.668
where: short stacking energy: -111.554
Base-Backbone interact. energy: -0.178
local terms energy: -131.935785
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -349.249083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.249083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.249083 (E_RNA)
where:
Base-Base interactions energy: -210.380
where: short stacking energy: -94.166
Base-Backbone interact. energy: 1.306
local terms energy: -140.175362
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -15.608
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: 8, replica: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -178.948565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.948565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.948565 (E_RNA)
where:
Base-Base interactions energy: -83.425
where: short stacking energy: -48.560
Base-Backbone interact. energy: -1.470
local terms energy: -94.054189
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -20.283
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -134.877820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.877820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.877820 (E_RNA)
where:
Base-Base interactions energy: -49.198
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.678
local terms energy: -85.001904
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: 6.515
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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -133.522655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.522655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.522655 (E_RNA)
where:
Base-Base interactions energy: -58.104
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.278
local terms energy: -75.140649
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -18.072
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: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -527.094885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.094885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.094885 (E_RNA)
where:
Base-Base interactions energy: -371.370
where: short stacking energy: -140.989
Base-Backbone interact. energy: -0.097
local terms energy: -155.627208
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -499.850387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.850387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.850387 (E_RNA)
where:
Base-Base interactions energy: -338.046
where: short stacking energy: -151.975
Base-Backbone interact. energy: 0.740
local terms energy: -162.544934
where:
bonds (distance) C4'-P energy: -26.253
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -45.822
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: 497
Temperature: 1.000000
Total energy: -501.182766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.182766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.182766 (E_RNA)
where:
Base-Base interactions energy: -340.842
where: short stacking energy: -147.485
Base-Backbone interact. energy: -0.267
local terms energy: -160.073126
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -501.939224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.939224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.939224 (E_RNA)
where:
Base-Base interactions energy: -352.281
where: short stacking energy: -158.136
Base-Backbone interact. energy: -0.092
local terms energy: -149.566872
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -436.396615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.396615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.396615 (E_RNA)
where:
Base-Base interactions energy: -298.233
where: short stacking energy: -124.015
Base-Backbone interact. energy: -0.352
local terms energy: -137.811762
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -35.970
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -367.333221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.333221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.333221 (E_RNA)
where:
Base-Base interactions energy: -236.009
where: short stacking energy: -99.736
Base-Backbone interact. energy: -0.943
local terms energy: -130.381207
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -365.379217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.379217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.379217 (E_RNA)
where:
Base-Base interactions energy: -231.339
where: short stacking energy: -90.083
Base-Backbone interact. energy: -0.667
local terms energy: -133.373506
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -24.914
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -183.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.293367 (E_RNA)
where:
Base-Base interactions energy: -83.336
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.346
local terms energy: -99.611285
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -36.079
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -153.065239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.065239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.065239 (E_RNA)
where:
Base-Base interactions energy: -50.284
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.226
local terms energy: -102.554692
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -23.128
flat angles P-C4'-P energy: -14.377
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: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -137.420293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.420293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.420293 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.216
local terms energy: -78.049768
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -27.926
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: 6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -520.676170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.676170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.676170 (E_RNA)
where:
Base-Base interactions energy: -351.932
where: short stacking energy: -142.781
Base-Backbone interact. energy: -1.813
local terms energy: -166.931757
where:
bonds (distance) C4'-P energy: -32.547
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -522.167504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.167504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.167504 (E_RNA)
where:
Base-Base interactions energy: -352.808
where: short stacking energy: -156.241
Base-Backbone interact. energy: -0.323
local terms energy: -169.036711
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -50.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -506.759156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.759156 (E_RNA)
where:
Base-Base interactions energy: -349.493
where: short stacking energy: -149.782
Base-Backbone interact. energy: -1.026
local terms energy: -156.239704
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -48.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -492.529506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.529506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.529506 (E_RNA)
where:
Base-Base interactions energy: -334.011
where: short stacking energy: -137.254
Base-Backbone interact. energy: -1.609
local terms energy: -156.910158
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -43.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -429.293896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.293896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.293896 (E_RNA)
where:
Base-Base interactions energy: -291.362
where: short stacking energy: -125.578
Base-Backbone interact. energy: -0.272
local terms energy: -137.659748
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -19.190
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: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -364.040600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.040600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.040600 (E_RNA)
where:
Base-Base interactions energy: -227.151
where: short stacking energy: -100.159
Base-Backbone interact. energy: 0.034
local terms energy: -136.923915
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -31.111
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: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -389.013910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.013910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.013910 (E_RNA)
where:
Base-Base interactions energy: -263.299
where: short stacking energy: -114.307
Base-Backbone interact. energy: -1.822
local terms energy: -123.892568
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -175.482991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.482991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.482991 (E_RNA)
where:
Base-Base interactions energy: -67.391
where: short stacking energy: -51.471
Base-Backbone interact. energy: 0.857
local terms energy: -108.949671
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -26.776
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -160.712462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.712462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.712462 (E_RNA)
where:
Base-Base interactions energy: -57.282
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.149
local terms energy: -103.281775
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -141.263657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.263657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.263657 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -35.423
Base-Backbone interact. energy: -0.391
local terms energy: -92.818588
where:
bonds (distance) C4'-P energy: -30.536
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -531.264562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.264562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.264562 (E_RNA)
where:
Base-Base interactions energy: -367.600
where: short stacking energy: -159.118
Base-Backbone interact. energy: -0.167
local terms energy: -163.496855
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -45.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -514.258321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.258321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.258321 (E_RNA)
where:
Base-Base interactions energy: -359.668
where: short stacking energy: -150.353
Base-Backbone interact. energy: -0.163
local terms energy: -154.427553
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -29.358
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -41.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -508.905615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.905615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.905615 (E_RNA)
where:
Base-Base interactions energy: -350.167
where: short stacking energy: -151.415
Base-Backbone interact. energy: -0.121
local terms energy: -158.616676
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -38.199
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -45.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -498.772873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.772873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.772873 (E_RNA)
where:
Base-Base interactions energy: -344.794
where: short stacking energy: -140.642
Base-Backbone interact. energy: -0.690
local terms energy: -153.288860
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -39.835
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: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -427.996683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.996683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.996683 (E_RNA)
where:
Base-Base interactions energy: -278.971
where: short stacking energy: -115.987
Base-Backbone interact. energy: -0.707
local terms energy: -148.318389
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -34.395
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -405.980543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.980543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.980543 (E_RNA)
where:
Base-Base interactions energy: -275.591
where: short stacking energy: -106.123
Base-Backbone interact. energy: 0.519
local terms energy: -130.908894
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -20.538
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: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -371.747185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.747185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.747185 (E_RNA)
where:
Base-Base interactions energy: -238.845
where: short stacking energy: -95.974
Base-Backbone interact. energy: -0.503
local terms energy: -132.399800
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -35.218
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -25.492
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: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -161.413212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.413212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.413212 (E_RNA)
where:
Base-Base interactions energy: -61.008
where: short stacking energy: -38.626
Base-Backbone interact. energy: -0.506
local terms energy: -99.899492
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -156.756532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.756532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.756532 (E_RNA)
where:
Base-Base interactions energy: -68.513
where: short stacking energy: -49.063
Base-Backbone interact. energy: 0.150
local terms energy: -88.393825
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: 1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -126.057681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.057681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.057681 (E_RNA)
where:
Base-Base interactions energy: -48.609
where: short stacking energy: -35.895
Base-Backbone interact. energy: -1.805
local terms energy: -75.643663
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -27.601
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: 5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -533.152888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.152888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.152888 (E_RNA)
where:
Base-Base interactions energy: -362.050
where: short stacking energy: -152.202
Base-Backbone interact. energy: -0.628
local terms energy: -170.475233
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -44.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -505.879803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.879803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.879803 (E_RNA)
where:
Base-Base interactions energy: -343.090
where: short stacking energy: -142.261
Base-Backbone interact. energy: -0.038
local terms energy: -162.751827
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -45.676
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: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -505.844228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.844228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.844228 (E_RNA)
where:
Base-Base interactions energy: -350.571
where: short stacking energy: -138.343
Base-Backbone interact. energy: -0.434
local terms energy: -154.839149
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -38.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -497.909123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.909123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.909123 (E_RNA)
where:
Base-Base interactions energy: -335.618
where: short stacking energy: -140.168
Base-Backbone interact. energy: 0.864
local terms energy: -163.155490
where:
bonds (distance) C4'-P energy: -29.033
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -48.828
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -438.657972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.657972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.657972 (E_RNA)
where:
Base-Base interactions energy: -294.516
where: short stacking energy: -128.942
Base-Backbone interact. energy: -0.105
local terms energy: -144.036604
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -36.764
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: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -412.541734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.541734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.541734 (E_RNA)
where:
Base-Base interactions energy: -266.768
where: short stacking energy: -106.448
Base-Backbone interact. energy: -1.742
local terms energy: -144.031784
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -35.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -389.091327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.091327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.091327 (E_RNA)
where:
Base-Base interactions energy: -251.298
where: short stacking energy: -121.947
Base-Backbone interact. energy: -0.090
local terms energy: -137.703935
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -37.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -155.455015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.455015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.455015 (E_RNA)
where:
Base-Base interactions energy: -55.644
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.593
local terms energy: -99.217977
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -172.200345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.200345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.200345 (E_RNA)
where:
Base-Base interactions energy: -69.858
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.124
local terms energy: -102.217608
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -3.215
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: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -139.031264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.031264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.031264 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -41.296
Base-Backbone interact. energy: 0.224
local terms energy: -95.470846
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -16.949
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: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -536.396221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.396221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.396221 (E_RNA)
where:
Base-Base interactions energy: -367.225
where: short stacking energy: -151.879
Base-Backbone interact. energy: -0.572
local terms energy: -168.598810
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -36.293
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -41.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -517.243656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.243656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.243656 (E_RNA)
where:
Base-Base interactions energy: -368.446
where: short stacking energy: -154.350
Base-Backbone interact. energy: -0.712
local terms energy: -148.085022
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -49.313
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: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -521.232131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.232131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.232131 (E_RNA)
where:
Base-Base interactions energy: -361.335
where: short stacking energy: -148.511
Base-Backbone interact. energy: -0.174
local terms energy: -159.723430
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -42.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -498.561408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.561408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.561408 (E_RNA)
where:
Base-Base interactions energy: -351.723
where: short stacking energy: -136.420
Base-Backbone interact. energy: -0.199
local terms energy: -146.639318
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -39.494
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: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -437.017524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.017524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.017524 (E_RNA)
where:
Base-Base interactions energy: -306.238
where: short stacking energy: -119.670
Base-Backbone interact. energy: 0.091
local terms energy: -130.871308
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -33.320
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: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -411.980295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.980295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.980295 (E_RNA)
where:
Base-Base interactions energy: -269.218
where: short stacking energy: -115.160
Base-Backbone interact. energy: 0.881
local terms energy: -143.643294
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -37.462
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: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -369.177058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.177058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.177058 (E_RNA)
where:
Base-Base interactions energy: -237.279
where: short stacking energy: -104.102
Base-Backbone interact. energy: -0.591
local terms energy: -131.306718
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -24.364
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: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -157.425527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.425527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.425527 (E_RNA)
where:
Base-Base interactions energy: -74.879
where: short stacking energy: -65.939
Base-Backbone interact. energy: 1.144
local terms energy: -83.689962
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -158.725722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.725722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.725722 (E_RNA)
where:
Base-Base interactions energy: -57.407
where: short stacking energy: -43.616
Base-Backbone interact. energy: -0.455
local terms energy: -100.864013
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -149.547648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.547648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.547648 (E_RNA)
where:
Base-Base interactions energy: -51.515
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.332
local terms energy: -97.701284
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 21178933
moves confirmed later: 23003769
all moves confirmed: 44182702
percent of confirmed moves: 5.522838
current total energy: -472.227205
recalc. total energy: -472.227205
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 29549313
moves confirmed later: 33987324
all moves confirmed: 63536637
percent of confirmed moves: 7.942080
current total energy: -468.788156
recalc. total energy: -468.788156
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21789044
moves confirmed later: 23785139
all moves confirmed: 45574183
percent of confirmed moves: 5.696773
current total energy: -473.609997
recalc. total energy: -473.609997
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 36315969
moves confirmed later: 42829404
all moves confirmed: 79145373
percent of confirmed moves: 9.893172
current total energy: -410.103768
recalc. total energy: -410.103768
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 26870429
moves confirmed later: 30648312
all moves confirmed: 57518741
percent of confirmed moves: 7.189843
current total energy: -370.886001
recalc. total energy: -370.886001
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 29216331
moves confirmed later: 33698182
all moves confirmed: 62914513
percent of confirmed moves: 7.864314
current total energy: -305.074509
recalc. total energy: -305.074509
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 39294855
moves confirmed later: 46834269
all moves confirmed: 86129124
percent of confirmed moves: 10.766141
current total energy: -292.138943
recalc. total energy: -292.138943
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 34862801
moves confirmed later: 41151280
all moves confirmed: 76014081
percent of confirmed moves: 9.501760
current total energy: -60.939233
recalc. total energy: -60.939233
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 55844654
moves confirmed later: 68409577
all moves confirmed: 124254231
percent of confirmed moves: 15.531779
current total energy: -100.138277
recalc. total energy: -100.138277
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 56281595
moves confirmed later: 68944589
all moves confirmed: 125226184
percent of confirmed moves: 15.653273
current total energy: -91.307537
recalc. total energy: -91.307537
out arg RESULTS//1/Bmotif_short-0f24acaf_01
Time of doing 8000000 iterations: 7807.374 seconds